Dissimilarities of reduced density matrices and eigenstate thermalization hypothesis

Science.gov (United States)

He, Song; Lin, Feng-Li; Zhang, Jia-ju

2017-12-01

We calculate various quantities that characterize the dissimilarity of reduced density matrices for a short interval of length ℓ in a two-dimensional (2D) large central charge conformal field theory (CFT). These quantities include the Rényi entropy, entanglement entropy, relative entropy, Jensen-Shannon divergence, as well as the Schatten 2-norm and 4-norm. We adopt the method of operator product expansion of twist operators, and calculate the short interval expansion of these quantities up to order of ℓ9 for the contributions from the vacuum conformal family. The formal forms of these dissimilarity measures and the derived Fisher information metric from contributions of general operators are also given. As an application of the results, we use these dissimilarity measures to compare the excited and thermal states, and examine the eigenstate thermalization hypothesis (ETH) by showing how they behave in high temperature limit. This would help to understand how ETH in 2D CFT can be defined more precisely. We discuss the possibility that all the dissimilarity measures considered here vanish when comparing the reduced density matrices of an excited state and a generalized Gibbs ensemble thermal state. We also discuss ETH for a microcanonical ensemble thermal state in a 2D large central charge CFT, and find that it is approximately satisfied for a small subsystem and violated for a large subsystem.

Stabilization and solidification of Pb in cement matrices

International Nuclear Information System (INIS)

Gollmann, Maria A.C.; Silva, Marcia M. da; Santos, Joao H. Z. dos; Masuero, Angela B.

2010-01-01

Pb was incorporated to a series of cement matrices, which were submitted to different cure time and pH. Pb content leached to aqueous solution was monitored by atomic absorption spectroscopy. The block resistance was evaluated by unconfined compressive strength at 7 and 28 ages. Data are discussed in terms of metal mobility along the cement block monitored by X-ray fluorescence (XRF) spectrometry. The Pb incorporated matrices have shown that a long cure time is more suitable for avoiding metal leaching. For a longer cure period the action of the metal is higher and there is a decreasing in the compressive strength. The XRF analyses show that there is a lower Ca concentration in the matrix in which Pb was added. (author)

Combination of beehive matrices analysis and ant biodiversity to study heavy metal pollution impact in a post-mining area (Sardinia, Italy).

Science.gov (United States)

Satta, Alberto; Verdinelli, Marcello; Ruiu, Luca; Buffa, Franco; Salis, Severyn; Sassu, Antonio; Floris, Ignazio

2012-11-01

Mining activities represent a major source of environment contamination. The aim of this study was to evaluate the use of bees and ants as bioindicators to detect the heavy metal impact in post-mining areas. A biomonitoring programme involving a combination of honeybee hive matrices analysis and ant biodiversity survey was conducted over a 3-year period. The experimental design involved three monitoring stations where repeated sampling activities focused on chemical detection of cadmium (Cd), chrome (Cr) and lead (Pb) from different matrices, both from hosted beehives (foraging bees, honey and pollen) and from the surrounding environment (stream water and soil). At the same time, ant biodiversity (number and abundance of species) was determined through a monitoring programme based on the use of pitfall traps placed in different habitats inside each mining site. The heavy metal content detected in stream water from the control station was always below the analytical limit of quantification. In the case of soil, the content of Cd and Pb from the control was lower than that of mining sites. The mean heavy metal concentrations in beehive matrices from mining sites were mainly higher than the control, and as a result of regression and discriminant analysis, forager bee sampling was an efficient environmental pollution bioindicator. Ant collection and identification highlighted a wide species variety with differences among habitats mostly associated with vegetation features. A lower variability was observed in the polluted landfill characterised by lack of vegetation. Combined biomonitoring with forager bees and ants represents a reliable tool for heavy metal environmental impact studies.

Optical Properties of Metal-Dielectric Structures Based on Photon-Crystal Opal Matrices

Science.gov (United States)

Vanin, A. I.; Lukin, A. E.; Romanov, S. G.; Solovyev, V. G.; Khanin, S. D.; Yanikov, M. V.

2018-04-01

Optical properties of novel metal-dielectric nanocomposite materials based on opal matrices have been investigated. The position of optical resonances of nanocomposites, obtained by embedding of silver into the opal matrix by the electrothermodiffusion method, is explained by the Bragg diffraction, and an asymmetric form of resonance curves is attributed to the Fano resonance. An anomalous transmission and absorption of light by hybrid plasmon-photonic layered heterostructures, which is apparently associated with excitation of surface plasmon-polaritons, propagating along "metal-dielectric" interfaces, was revealed.

On the mean density of complex eigenvalues for an ensemble of random matrices with prescribed singular values

International Nuclear Information System (INIS)

Wei Yi; Fyodorov, Yan V

2008-01-01

Given any fixed N x N positive semi-definite diagonal matrix G ≥ 0 we derive the explicit formula for the density of complex eigenvalues for random matrices A of the form A=U√G where the random unitary matrices U are distributed on the group U(N) according to the Haar measure. (fast track communication)

Probing the Topology of Density Matrices

Directory of Open Access Journals (Sweden)

Charles-Edouard Bardyn

2018-02-01

Full Text Available The mixedness of a quantum state is usually seen as an adversary to topological quantization of observables. For example, exact quantization of the charge transported in a so-called Thouless adiabatic pump is lifted at any finite temperature in symmetry-protected topological insulators. Here, we show that certain directly observable many-body correlators preserve the integrity of topological invariants for mixed Gaussian quantum states in one dimension. Our approach relies on the expectation value of the many-body momentum-translation operator and leads to a physical observable—the “ensemble geometric phase” (EGP—which represents a bona fide geometric phase for mixed quantum states, in the thermodynamic limit. In cyclic protocols, the EGP provides a topologically quantized observable that detects encircled spectral singularities (“purity-gap” closing points of density matrices. While we identify the many-body nature of the EGP as a key ingredient, we propose a conceptually simple, interferometric setup to directly measure the latter in experiments with mesoscopic ensembles of ultracold atoms.

Synthesis of metallic nanoparticles in SiO{sub 2} matrices; Sintesis de nanoparticulas metalicas en matrices de SiO{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Gutierrez W, C; Mondragon G, G; Perez H, R; Mendoza A, D [ININ, 52045 Ocoyoacac, Estado de Mexico (Mexico)

2004-07-01

Metallic nanoparticles was synthesized in SiO{sub 2} matrices by means of a process of two stages. The first one proceeded via sol-gel, incorporating the metallic precursors to the reaction system before the solidification of the matrix. Later on, the samples underwent a thermal treatment in atmosphere of H{sub 2}, carrying out the reduction of the metals that finally formed to the nanoparticles. Then it was detected the presence of smaller nanoparticles than 20 nm, dispersed and with the property of being liberated easily of the matrix, conserving a free surface, chemically reactive and with response to external electromagnetic radiation. The system SiO{sub 2}-Pd showed an important thermoluminescent response. (Author)

Flavonoids as matrices for MALDI-TOF mass spectrometric analysis of transition metal complexes

Science.gov (United States)

Petkovic, Marijana; Petrovic, Biljana; Savic, Jasmina; Bugarcic, Zivadin D.; Dimitric-Markovic, Jasmina; Momic, Tatjana; Vasic, Vesna

2010-02-01

Matrix-assisted laser desorption and ionization time-of-flight mass spectrometry (MALDI-TOF MS) is a suitable method for the analysis of inorganic and organic compounds and biomolecules. This makes MALDI-TOF MS convenient for monitoring the interaction of metallo-drugs with biomolecules. Results presented in this manuscript demonstrate that flavonoids such as apigenin, kaempferol and luteolin are suitable for MALDI-TOF MS analysis of Pt(II), Pd(II), Pt(IV) and Ru(III) complexes, giving different signal-to-noise ratios of the analyte peak. The MALDI-TOF mass spectra of inorganic complexes acquired with these flavonoid matrices are easy to interpret and have some advantages over the application of other commonly used matrices: a low number of matrix peaks are detectable and the coordinative metal-ligand bond is, in most cases, preserved. On the other hand, flavonoids do not act as typical matrices, as their excess is not required for the acquisition of MALDI-TOF mass spectra of inorganic complexes.

NMR studies of metallic tin confined within porous matrices

International Nuclear Information System (INIS)

Charnaya, E. V.; Tien, Cheng; Lee, M. K.; Kumzerov, Yu. A.

2007-01-01

119 Sn NMR studies were carried out for metallic tin confined within synthetic opal and porous glass. Tin was embedded into nanoporous matrices in the melted state under pressure. The Knight shift for liquid confined tin was found to decrease with decreasing pore size. Correlations between NMR line shapes, Knight shift, and pore filling were observed. The melting and freezing phase transitions of tin under confinement were studied through temperature dependences of NMR signals upon warming and cooling. Melting of tin within the opal matrix agreed well with the liquid skin model suggested for small isolated particles. The influence of the pore filling on the melting process was shown

Low-density to high-density transition in Ce75Al23Si2 metallic glass

International Nuclear Information System (INIS)

Zeng, Q S; Lou, H B; Gong, Y; Wang, X D; Jiang, J Z; Fang, Y Z; Wu, F M; Yang, K; Li, A G; Yan, S; Yu, X H; Lathe, C

2010-01-01

Using in situ high-pressure x-ray diffraction (XRD), we observed a pressure-induced polyamorphic transition from the low-density amorphous (LDA) state to the high-density amorphous (HDA) state in Ce 75 Al 23 Si 2 metallic glass at about 2 GPa and 300 K. The thermal stabilities of both LDA and HDA metallic glasses were further investigated using in situ high-temperature and high-pressure XRD, which revealed different pressure dependences of the onset crystallization temperature (T x ) between them with a turning point at about 2 GPa. Compared with Ce 75 Al 25 metallic glass, minor Si doping shifts the onset polyamorphic transition pressure from 1.5 to 2 GPa and obviously stabilizes both LDA and HDA metallic glasses with higher T x and changes their slopes dT x /dP. The results obtained in this work reveal another polyamorphous metallic glass system by minor alloying (e.g. Si), which could modify the transition pressure and also properties of LDA and HDA metallic glasses. The minor alloying effect reported here is valuable for the development of more polyamorphous metallic glasses, even multicomponent bulk metallic glasses with modified properties, which will trigger more investigations in this field and improve our understanding of polyamorphism and metallic glasses.

Spectra of sparse random matrices

International Nuclear Information System (INIS)

Kuehn, Reimer

2008-01-01

We compute the spectral density for ensembles of sparse symmetric random matrices using replica. Our formulation of the replica-symmetric ansatz shares the symmetries of that suggested in a seminal paper by Rodgers and Bray (symmetry with respect to permutation of replica and rotation symmetry in the space of replica), but uses a different representation in terms of superpositions of Gaussians. It gives rise to a pair of integral equations which can be solved by a stochastic population-dynamics algorithm. Remarkably our representation allows us to identify pure-point contributions to the spectral density related to the existence of normalizable eigenstates. Our approach is not restricted to matrices defined on graphs with Poissonian degree distribution. Matrices defined on regular random graphs or on scale-free graphs, are easily handled. We also look at matrices with row constraints such as discrete graph Laplacians. Our approach naturally allows us to unfold the total density of states into contributions coming from vertices of different local coordinations and an example of such an unfolding is presented. Our results are well corroborated by numerical diagonalization studies of large finite random matrices

Construction of lead glass tubing matrices for applications in medical physics and high energy physics

International Nuclear Information System (INIS)

Schwartz, G.; Conti, M.; Del Guerra, A.; Cinti, M.; Di Fino, M.; Habel, R.

1985-01-01

Honeycomb matrices which act both as gamma ray converter/radiator and electron drift structures have been manufactured from lead glass tubing of high density (5-6 g/cm 3 ). Baking the tubing in a reducing atmosphere produces a resistive metallic layer which can be used as a continuous voltage divider for drift field shaping. The application of a multiwire proportional chamber/converter detector to positron emission tomography is described; arrays of lead glass capillaries ( < 1.0 mm inner diameter) are used as converter for the 511 keV annihilation photons. Another application is under study in high energy physics, a high density projection chamber in electromagnetic calorimetry. The various phases of the construction of these lead glass matrices for both applications are described in detail

Ultra-stiff metallic glasses through bond energy density design.

Science.gov (United States)

Schnabel, Volker; Köhler, Mathias; Music, Denis; Bednarcik, Jozef; Clegg, William J; Raabe, Dierk; Schneider, Jochen M

2017-07-05

The elastic properties of crystalline metals scale with their valence electron density. Similar observations have been made for metallic glasses. However, for metallic glasses where covalent bonding predominates, such as metalloid metallic glasses, this relationship appears to break down. At present, the reasons for this are not understood. Using high energy x-ray diffraction analysis of melt spun and thin film metallic glasses combined with density functional theory based molecular dynamics simulations, we show that the physical origin of the ultrahigh stiffness in both metalloid and non-metalloid metallic glasses is best understood in terms of the bond energy density. Using the bond energy density as novel materials design criterion for ultra-stiff metallic glasses, we are able to predict a Co 33.0 Ta 3.5 B 63.5 short range ordered material by density functional theory based molecular dynamics simulations with a high bond energy density of 0.94 eV Å -3 and a bulk modulus of 263 GPa, which is 17% greater than the stiffest Co-B based metallic glasses reported in literature.

Higher dimensional unitary braid matrices: Construction, associated structures and entanglements

International Nuclear Information System (INIS)

Abdesselam, B.; Chakrabarti, A.; Dobrev, V.K.; Mihov, S.G.

2007-03-01

We construct (2n) 2 x (2n) 2 unitary braid matrices R-circumflex for n ≥ 2 generalizing the class known for n = 1. A set of (2n) x (2n) matrices (I, J,K,L) are defined. R-circumflex is expressed in terms of their tensor products (such as K x J), leading to a canonical formulation for all n. Complex projectors P ± provide a basis for our real, unitary R-circumflex. Baxterization is obtained. Diagonalizations and block- diagonalizations are presented. The loss of braid property when R-circumflex (n > 1) is block-diagonalized in terms of R-circumflex (n = 1) is pointed out and explained. For odd dimension (2n + 1) 2 x (2n + 1) 2 , a previously constructed braid matrix is complexified to obtain unitarity. R-circumflexLL- and R-circumflexTT- algebras, chain Hamiltonians, potentials for factorizable S-matrices, complex non-commutative spaces are all studied briefly in the context of our unitary braid matrices. Turaev construction of link invariants is formulated for our case. We conclude with comments concerning entanglements. (author)

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.

Medium-induced change of the optical response of metal clusters in rare-gas matrices

Science.gov (United States)

Xuan, Fengyuan; Guet, Claude

2017-10-01

Interaction with the surrounding medium modifies the optical response of embedded metal clusters. For clusters from about ten to a few hundreds of silver atoms, embedded in rare-gas matrices, we study the environment effect within the matrix random phase approximation with exact exchange (RPAE) quantum approach, which has proved successful for free silver clusters. The polarizable surrounding medium screens the residual two-body RPAE interaction, adds a polarization term to the one-body potential, and shifts the vacuum energy of the active delocalized valence electrons. Within this model, we calculate the dipole oscillator strength distribution for Ag clusters embedded in helium droplets, neon, argon, krypton, and xenon matrices. The main contribution to the dipole surface plasmon red shift originates from the rare-gas polarization screening of the two-body interaction. The large size limit of the dipole surface plasmon agrees well with the classical prediction.

Wave functions and low-order density matrices for a class of two-electron 'artificial atoms' embracing Hookean and Moshinsky models

International Nuclear Information System (INIS)

Holas, A.; Howard, I.A.; March, N.H.

2003-01-01

A class of model two-electron 'artificial atoms' is proposed which embraces both Hookean and Moshinsky models. Particle densities and spinless first-order density matrices are obtained for this class of models. These quantities and the interacting system kinetic energy can be calculated using the ground-state solution of an explicit single-particle radial Schroedinger equation

Low-density to high-density transition in Ce{sub 75}Al{sub 23}Si{sub 2} metallic glass

Energy Technology Data Exchange (ETDEWEB)

Zeng, Q S; Lou, H B; Gong, Y; Wang, X D; Jiang, J Z [International Center for New-Structured Materials, Zhejiang University, Hangzhou 310027 (China); Fang, Y Z; Wu, F M [College of Mathematics, Physics and Information Engineering, Zhejiang Normal University, Jinhua 321004, Zhejiang (China); Yang, K; Li, A G; Yan, S; Yu, X H [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201203 (China); Lathe, C, E-mail: qiaoshizeng@gmail.co, E-mail: jiangjz@zju.edu.c [HASYLAB am DESY, Notkestrasse 85, Hamburg D-22603 (Germany)

2010-09-22

Using in situ high-pressure x-ray diffraction (XRD), we observed a pressure-induced polyamorphic transition from the low-density amorphous (LDA) state to the high-density amorphous (HDA) state in Ce{sub 75}Al{sub 23}Si{sub 2} metallic glass at about 2 GPa and 300 K. The thermal stabilities of both LDA and HDA metallic glasses were further investigated using in situ high-temperature and high-pressure XRD, which revealed different pressure dependences of the onset crystallization temperature (T{sub x}) between them with a turning point at about 2 GPa. Compared with Ce{sub 75}Al{sub 25} metallic glass, minor Si doping shifts the onset polyamorphic transition pressure from 1.5 to 2 GPa and obviously stabilizes both LDA and HDA metallic glasses with higher T{sub x} and changes their slopes dT{sub x}/dP. The results obtained in this work reveal another polyamorphous metallic glass system by minor alloying (e.g. Si), which could modify the transition pressure and also properties of LDA and HDA metallic glasses. The minor alloying effect reported here is valuable for the development of more polyamorphous metallic glasses, even multicomponent bulk metallic glasses with modified properties, which will trigger more investigations in this field and improve our understanding of polyamorphism and metallic glasses.

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.

Metal accumulation in roadside soil in Melbourne, Australia: Effect of road age, traffic density and vehicular speed

International Nuclear Information System (INIS)

De Silva, Shamali; Ball, Andrew S.; Huynh, Trang; Reichman, Suzie M.

2016-01-01

Concentrations of vehicular emitted heavy metals in roadside soils result in long term environmental damage. This study assessed the relationships between traffic characteristics (traffic density, road age and vehicular speed) and roadside soil heavy metals. Significant levels were recorded for Cd (0.06–0.59 mg/kg), Cr (18–29 mg/kg), Cu (4–12 mg/kg), Ni (7–20 mg/kg), Mn (92–599 mg/kg), Pb (16–144 mg/kg) and Zn (10.36–88.75 mg/kg), with Mn concentrations exceeding the Ecological Investigation Level. Significant correlations were found between roadside soil metal concentration and vehicular speed (R = 0.90), road age (R = 0.82) and traffic density (R = 0.68). Recently introduced metals in automotive technology (e.g. Mn and Sb) were higher in younger roads, while the metals present for many years (e.g. Cd, Cu, Pb, Zn) were higher in medium and old age roads confirming the risk of significant metal deposition and soil metal retention in roadside soils. - Highlights: • Elevated metal concentrations were recorded from Melbourne roadside soils. • Mn and Sb tended to be higher in younger roads. • Cd, Cu, Pb and Zn were particularly elevated in medium and old age roads. • Accumulation of Ag, Co and Sb were identified as potential emerging risks. • Mn concentrations exceeded Australian ecological investigation levels. - Investigating relationships between road age, traffic density and vehicular speed on the concentrations of metals in roadside soils.

Unambiguous state discrimination of two density matrices in quantum information theory

International Nuclear Information System (INIS)

Raynal, P.

2008-01-01

Quantum state discrimination is a fundamental task in quantum information theory. The signals are usually nonorthogonal quantum states, which implies that they can not be perfectly distinguished. One possible discrimination strategy is the so-called Unambiguous State Discrimination (USD) where the states are successfully identified with non-unit probability, but without error. The optimal USD measurement has been extensively studied in the case of pure states, especially for any pair of pure states. Recently, the problem of unambiguously discriminating mixed quantum states has attracted much attention. In the case of a pair of generic mixed states, no complete solution is known. In this thesis, we first present reduction theorems for optimal unambiguous discrimination of two generic density matrices. We show that this problem can be reduced to that of two density matrices that have the same rank r in a 2r-dimensional Hilbert space. These reduction theorems also allow us to reduce USD problems to simpler ones for which the solution might be known. As an application, we consider the unambiguous comparison of n linearly independent pure states with a simple symmetry. Moreover, lower bounds on the optimal failure probability have been derived. For two mixed states they are given in terms of the fidelity. Here we give tighter bounds as well as necessary and sufficient conditions for two mixed states to reach these bounds. We also construct the corresponding optimal measurement. With this result, we provide analytical solutions for unambiguously discriminating a class of generic mixed states. This goes beyond known results which are all reducible to some pure state case. We however show that examples exist where the bounds cannot be reached. Next, we derive properties on the rank and the spectrum of an optimal USD measurement. This finally leads to a second class of exact solutions. Indeed we present the optimal failure probability as well as the optimal measurement for

Batteries. Higher energy density than gasoline?

International Nuclear Information System (INIS)

Fischer, Michael; Werber, Mathew; Schwartz, Peter V.

2009-01-01

The energy density of batteries is two orders of magnitude below that of liquid fuels. However, this information alone cannot be used to compare batteries to liquid fuels for automobile energy storage media. Because electric motors have a higher energy conversion efficiency and lower mass than combustion engines, they can provide a higher deliverable mechanical energy density than internal combustion for most transportation applications. (author)

Density functional theory based study of chlorine doped WS2-metal interface

International Nuclear Information System (INIS)

Chanana, Anuja; Mahapatra, Santanu

2016-01-01

Investigation of a transition metal dichalcogenide (TMD)-metal interface is essential for the effective functioning of monolayer TMD based field effect transistors. In this work, we employ the Density Functional Theory calculations to analyze the modulation of the electronic structure of monolayer WS 2 with chlorine doping and the relative changes in the contact properties when interfaced with gold and palladium. We initially examine the atomic and electronic structures of pure and doped monolayer WS 2 supercell and explore the formation of midgap states with band splitting near the conduction band edge. Further, we analyze the contact nature of the pure supercell with Au and Pd. We find that while Au is physiosorbed and forms n-type contact, Pd is chemisorped and forms p-type contact with a higher valence electron density. Next, we study the interface formed between the Cl-doped supercell and metals and observe a reduction in the Schottky barrier height (SBH) in comparison to the pure supercell. This reduction found is higher for Pd in comparison to Au, which is further validated by examining the charge transfer occurring at the interface. Our study confirms that Cl doping is an efficient mechanism to reduce the n-SBH for both Au and Pd, which form different types of contact with WS 2 .

Structural and Thermal Studies of ZnS and CdS Nanoparticles in Polymer Matrices

Directory of Open Access Journals (Sweden)

Jejenija Osuntokun

2016-01-01

Full Text Available We report the synthesis and structural studies of ZnS and CdS nanoparticles in polyvinylpyrrolidone (PVP, poly(vinyl alcohol (PVA, and poly(methyl methacrylate (PMMA matrices. The metal sulfides/polymer nanocomposites were characterized by X-ray diffraction (XRD, Fourier transform infrared spectroscopy, electronic spectroscopy (UV-Vis, transmission electron microscopy (TEM, and thermogravimetric analysis (TGA. The particle sizes as calculated from the absorption spectra were in agreement with the results obtained from TEM and XRD data. They showed metal sulfides nanoparticles in the polymers matrices with average crystallite sizes of 1.5–6.9 nm. The TGA results indicate that incorporation of the nanoparticles significantly altered the thermal properties of the respective polymers with ZnS/PVA and CdS/PVA nanocomposites displaying higher thermal stability than the other polymer nanocomposites.

The Dirac–Frenkel Principle for Reduced Density Matrices, and the Bogoliubov–de Gennes Equations

DEFF Research Database (Denmark)

Benedikter, Niels; Sok, Jérémy; Solovej, Jan Philip

2018-01-01

The derivation of effective evolution equations is central to the study of non-stationary quantum many-body systems, and widely used in contexts such as superconductivity, nuclear physics, Bose–Einstein condensation and quantum chemistry. We reformulate the Dirac–Frenkel approximation principle...... in terms of reduced density matrices and apply it to fermionic and bosonic many-body systems. We obtain the Bogoliubov–de Gennes and Hartree–Fock–Bogoliubov equations, respectively. While we do not prove quantitative error estimates, our formulation does show that the approximation is optimal within...... the class of quasifree states. Furthermore, we prove well-posedness of the Bogoliubov–de Gennes equations in energy space and discuss conserved quantities....

Do galaxy global relationships emerge from local ones? The SDSS IV MaNGA surface mass density-metallicity relation

Science.gov (United States)

Barrera-Ballesteros, Jorge K.; Heckman, Timothy M.; Zhu, Guangtun B.; Zakamska, Nadia L.; Sánchez, Sebastian F.; Law, David; Wake, David; Green, Jenny E.; Bizyaev, Dmitry; Oravetz, Daniel; Simmons, Audrey; Malanushenko, Elena; Pan, Kaike; Roman Lopes, Alexandre; Lane, Richard R.

2016-12-01

We present the stellar surface mass density versus gas metallicity (Σ*-Z) relation for more than 500 000 spatially resolved star-forming resolution elements (spaxels) from a sample of 653 disc galaxies included in the SDSS IV MaNGA survey. We find a tight relation between these local properties, with higher metallicities as the surface density increases. This relation extends over three orders of magnitude in the surface mass density and a factor of 4 in metallicity. We show that this local relationship can simultaneously reproduce two well-known properties of disc galaxies: their global mass-metallicity relationship and their radial metallicity gradients. We also find that the Σ*-Z relation is largely independent of the galaxy's total stellar mass and specific star formation rate (sSFR), except at low stellar mass and high sSFR. These results suggest that in the present-day universe local properties play a key role in determining the gas-phase metallicity in typical disc galaxies.

Exploring the mechanical strength of additively manufactured metal structures with embedded electrical materials

Energy Technology Data Exchange (ETDEWEB)

Li, J., E-mail: J.Li5@lboro.ac.uk; Monaghan, T.; Masurtschak, S.; Bournias-Varotsis, A.; Friel, R.J.; Harris, R.A.

2015-07-15

Ultrasonic Additive Manufacturing (UAM) enables the integration of a wide variety of components into solid metal matrices due to the process induced high degree of metal matrix plastic flow at low bulk temperatures. Exploitation of this phenomenon allows the fabrication of previously unobtainable novel engineered metal matrix components. The feasibility of directly embedding electrical materials within UAM metal matrices was investigated in this work. Three different dielectric materials were embedded into UAM fabricated aluminium metal-matrices with, research derived, optimal processing parameters. The effect of the dielectric material hardness on the final metal matrix mechanical strength after UAM processing was investigated systematically via mechanical peel testing and microscopy. It was found that when the Knoop hardness of the dielectric film was increased from 12.1 HK/0.01 kg to 27.3 HK/0.01 kg, the mechanical peel testing and linear weld density of the bond interface were enhanced by 15% and 16%, respectively, at UAM parameters of 1600 N weld force, 25 µm sonotrode amplitude, and 20 mm/s welding speed. This work uniquely identified that the mechanical strength of dielectric containing UAM metal matrices improved with increasing dielectric material hardness. It was therefore concluded that any UAM metal matrix mechanical strength degradation due to dielectric embedding could be restricted by employing a dielectric material with a suitable hardness (larger than 20 HK/0.01 kg). This result is of great interest and a vital step for realising electronic containing multifunctional smart metal composites for future industrial applications.

Acetabular bone density and metal ions after metal-on-metal versus metal-on-polyethylene total hip arthroplasty; short-term results

NARCIS (Netherlands)

Zijlstra, Wierd P.; van der Veen, Hugo C.; van den Akker-Scheek, Inge; Zee, Mark J. M.; Bulstra, Sjoerd K.; van Raay, Jos J. A. M.

Information on periprosthetic acetabular bone density is lacking for metal-on-metal total hip arthroplasties. These bearings use cobalt-chromium instead of titanium acetabular components, which could lead to stress shielding and hence periprosthetic bone loss. Cobalt and chromium ions have

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

Density functional theory based study of chlorine doped WS{sub 2}-metal interface

Energy Technology Data Exchange (ETDEWEB)

Chanana, Anuja; Mahapatra, Santanu, E-mail: santanu@dese.iisc.ernet.in [NanoScale Device Research Laboratory, Department of Electronic Systems Engineering, Indian Institute of Science, Bengaluru, Karnataka 560012 (India)

2016-03-07

Investigation of a transition metal dichalcogenide (TMD)-metal interface is essential for the effective functioning of monolayer TMD based field effect transistors. In this work, we employ the Density Functional Theory calculations to analyze the modulation of the electronic structure of monolayer WS{sub 2} with chlorine doping and the relative changes in the contact properties when interfaced with gold and palladium. We initially examine the atomic and electronic structures of pure and doped monolayer WS{sub 2} supercell and explore the formation of midgap states with band splitting near the conduction band edge. Further, we analyze the contact nature of the pure supercell with Au and Pd. We find that while Au is physiosorbed and forms n-type contact, Pd is chemisorped and forms p-type contact with a higher valence electron density. Next, we study the interface formed between the Cl-doped supercell and metals and observe a reduction in the Schottky barrier height (SBH) in comparison to the pure supercell. This reduction found is higher for Pd in comparison to Au, which is further validated by examining the charge transfer occurring at the interface. Our study confirms that Cl doping is an efficient mechanism to reduce the n-SBH for both Au and Pd, which form different types of contact with WS{sub 2}.

Inverse m-matrices and ultrametric matrices

CERN Document Server

Dellacherie, Claude; San Martin, Jaime

2014-01-01

The study of M-matrices, their inverses and discrete potential theory is now a well-established part of linear algebra and the theory of Markov chains. The main focus of this monograph is the so-called inverse M-matrix problem, which asks for a characterization of nonnegative matrices whose inverses are M-matrices. We present an answer in terms of discrete potential theory based on the Choquet-Deny Theorem. A distinguished subclass of inverse M-matrices is ultrametric matrices, which are important in applications such as taxonomy. Ultrametricity is revealed to be a relevant concept in linear algebra and discrete potential theory because of its relation with trees in graph theory and mean expected value matrices in probability theory. Remarkable properties of Hadamard functions and products for the class of inverse M-matrices are developed and probabilistic insights are provided throughout the monograph.

Communication: satisfying fermionic statistics in the modeling of open time-dependent quantum systems with one-electron reduced density matrices.

Science.gov (United States)

Head-Marsden, Kade; Mazziotti, David A

2015-02-07

For an open, time-dependent quantum system, Lindblad derived the most general modification of the quantum Liouville equation in the Markovian approximation that models environmental effects while preserving the non-negativity of the system's density matrix. While Lindblad's modification is correct for N-electron density matrices, solution of the Liouville equation with a Lindblad operator causes the one-electron reduced density matrix (1-RDM) to violate the Pauli exclusion principle. Consequently, after a short time, the 1-RDM is not representable by an ensemble N-electron density matrix (not ensemble N-representable). In this communication, we derive the necessary and sufficient constraints on the Lindbladian matrix within the Lindblad operator to ensure that the 1-RDM remains N-representable for all time. The theory is illustrated by considering the relaxation of an excitation in several molecules F2, N2, CO, and BeH2 subject to environmental noise.

Stabilization of chromium-bearing electroplating sludge with MSWI fly ash-based Friedel matrices.

Science.gov (United States)

Qian, Guangren; Yang, Xiaoyan; Dong, Shixiang; Zhou, Jizhi; Sun, Ying; Xu, Yunfeng; Liu, Qiang

2009-06-15

This work investigated the feasibility and effectiveness of MSWI fly ash-based Friedel matrices on stabilizing/solidifying industrial chromium-bearing electroplating sludge using MSWI fly ash as the main raw material with a small addition of active aluminum. The compressive strength, leaching behavior and chemical speciation of heavy metals and hydration phases of matrices were characterized by TCLP, XRD, FTIR and other experimental methods. The results revealed that MSWI fly ash-based Friedel matrices could effectively stabilize chromium-bearing electroplating sludge, the formed ettringite and Friedel phases played a significant role in the fixation of heavy metals in electroplating sludge. The co-disposal of chromium-bearing electroplating sludge and MSWI fly ash-based Friedel matrices with a small addition of active aluminum is promising to be an effective way of stabilizing chromium-bearing electroplating sludge.

Charge-density depinning at metal contacts of graphene field-effect transistors

OpenAIRE

Nouchi, Ryo; Tanigaki, Katsumi

2010-01-01

An anomalous distortion is often observed in the transfer characteristics of graphene field-effect transistors. We fabricate graphene transistors with ferromagnetic metal electrodes, which reproducibly display distorted transfer characteristics, and show that the distortion is caused by metal-graphene contacts with no charge-density pinning effect. The pinning effect, where the gate voltage cannot tune the charge density of graphene at the metal electrodes, has been experimentally observed; h...

Fabrication of ultrahigh density metal-cell-metal crossbar memory devices with only two cycles of lithography and dry-etch procedures

KAUST Repository

Zong, Baoyu

2013-05-20

A novel approach to the fabrication of metal-cell-metal trilayer memory devices was demonstrated by using only two cycles of lithography and dry-etch procedures. The fabricated ultrahigh density crossbar devices can be scaled down to ≤70 nm in half-pitch without alignment issues. Depending on the different dry-etch mechanisms in transferring high and low density nanopatterns, suitable dry-etch angles and methods are studied for the transfer of high density nanopatterns. Some novel process methods have also been developed to eliminate the sidewall and other conversion obstacles for obtaining high density of uniform metallic nanopatterns. With these methods, ultrahigh density trilayer crossbar devices (∼2 × 1010 bit cm-2-kilobit electronic memory), which are composed of built-in practical magnetoresistive nanocells, have been achieved. This scalable process that we have developed provides the relevant industries with a cheap means to commercially fabricate three-dimensional high density metal-cell-metal nanodevices. © 2013 IOP Publishing Ltd.

Simulated Tip Rub Testing of Low-Density Metal Foam

Science.gov (United States)

Bowman, Cheryl L.; Jones, Michael G.

2009-01-01

Preliminary acoustic studies have indicated that low-density, open-cell, metal foams may be suitable acoustic liner material for noise suppression in high by-pass engines. Metal foam response under simulated tip rub conditions was studied to assess whether its durability would be sufficient for the foam to serve both as a rub strip above the rotor as well as an acoustic treatment. Samples represented four metal alloys, nominal cell dimensions ranging from 60 to 120 cells per inch (cpi), and relative densities ranging from 3.4 to 10 percent. The resulting rubbed surfaces were relatively smooth and the open cell structure of the foam was not adversely affected. Sample relative density appeared to have significant influence on the forces induced by the rub event. Acoustic responses of various surface preparations were measured using a normal incidence tube. The results of this study indicate that the foam s open-cell structure was retained after rubbing and that the acoustic absorption spectra variation was minimal.

Metal hydrides based high energy density thermal battery

International Nuclear Information System (INIS)

Fang, Zhigang Zak; Zhou, Chengshang; Fan, Peng; Udell, Kent S.; Bowman, Robert C.; Vajo, John J.; Purewal, Justin J.; Kekelia, Bidzina

2015-01-01

Highlights: • The principle of the thermal battery using advanced metal hydrides was demonstrated. • The thermal battery used MgH 2 and TiMnV as a working pair. • High energy density can be achieved by the use of MgH 2 to store thermal energy. - Abstract: A concept of thermal battery based on advanced metal hydrides was studied for heating and cooling of cabins in electric vehicles. The system utilized a pair of thermodynamically matched metal hydrides as energy storage media. The pair of hydrides that was identified and developed was: (1) catalyzed MgH 2 as the high temperature hydride material, due to its high energy density and enhanced kinetics; and (2) TiV 0.62 Mn 1.5 alloy as the matching low temperature hydride. Further, a proof-of-concept prototype was built and tested, demonstrating the potential of the system as HVAC for transportation vehicles

The estimation of heavy metal concentration in FBR reprocessing solvent streams by density measurement

International Nuclear Information System (INIS)

Brown, M.L.; Savage, D.J.

1986-04-01

The application of density measurement to heavy metal monitoring in the solvent phase is described, including practical experience gained during three fast reactor fuel reprocessing campaigns. An experimental algorithm relating heavy metal concentration and sample density was generated from laboratory-measured density data, for uranyl nitrate dissolved in nitric acid loaded tri-butyl phosphate in odourless kerosene. Differences in odourless kerosene batch densities are mathematically interpolated, and the algorithm can be used to estimate heavy metal concentrations from the density to within +1.5 g/l. An Anton Paar calculating digital densimeter with remote cell operation was used for all density measurements, but the algorithm will give similar accuracy with any density measuring device capable of a precision of better than 0.0005 g/cm 3 . For plant control purposes, the algorithm was simplified using a density referencing system, whereby the density of solvent not yet loaded with heavy metal is subtracted from the sample density. This simplified algorithm compares very favourably with empirical algorithms, derived from numerical analysis of density data and chemically measured uranium and plutonium data obtained during fuel reprocessing campaigns, particularly when differences in the acidity of the solvent are considered before and after loading with heavy metal. This simplified algorithm had been successfully used for plant control of heavy metal loaded solvent during four fast reactor fuel reprocessing campaigns. (author)

Determination of liquid metal density using X-radiography

International Nuclear Information System (INIS)

Mel'nik, B.A.

1978-01-01

A method for measuring molten metal densities based on the determination of the critical angle of complete external X-ray reflection angle is proposed. A good agreement between the experimental and reported data is exemplified by density measurements of liquid Ga, In and Hg at different temperatures. The theoretical method accuracy is 0.2%

Simultaneous quantification of iodine and high valent metals via ICP-MS under acidic conditions in complex matrices.

Science.gov (United States)

Brix, Kristina; Hein, Christina; Sander, Jonas Michael; Kautenburger, Ralf

2017-05-15

The determination of iodine as a main fission product (especially the isotopes I-129 and I-131) of stored HLW in a disposal beside its distribution as a natural ingredient of many different products like milk, food and seawater is a matter of particular interest. The simultaneous ICP-MS determination of iodine as iodide together with other elements (especially higher valent metal ions) relevant for HLW is analytically very problematic. A reliable ICP-MS quantification of iodide must be performed at neutral or alkaline conditions in contrast to the analysis of metal ions which are determined in acidic pH ranges. Herein, we present a method to solve this problem by changing the iodine speciation resulting in an ICP-MS determination of iodide as iodate. The oxidation from iodide to iodate with sodium hypochlorite at room temperature is a fast and convenient method with flexible reaction time, from one hour up to three days, thus eliminating the disadvantages of quantifying iodine species via ICP-MS. In the analysed concentration range of iodine (0.1-100µgL -1 ) we obtain likely quantitative recovery rates for iodine between 91% and 102% as well as relatively low RSD values (0.3-4.0%). As an additional result, it is possible to measure different other element species in parallel together with the generated iodate, even high valent metals (europium and uranium beside caesium) at recovery rates in the same order of magnitude (93-104%). In addition, the oxidation process operates above pH 7 thus offering a wide pH range for sample preparation. Even analytes in complex matrices, like 5M saline (NaCl) solution or artificial cement pore water (ACW) can be quantified with this robust sample preparation method. Copyright © 2017 Elsevier B.V. All rights reserved.

Metal hydrides based high energy density thermal battery

Energy Technology Data Exchange (ETDEWEB)

Fang, Zhigang Zak, E-mail: zak.fang@utah.edu [Department of Metallurgical Engineering, The University of Utah, 135 South 1460 East, Room 412, Salt Lake City, UT 84112-0114 (United States); Zhou, Chengshang; Fan, Peng [Department of Metallurgical Engineering, The University of Utah, 135 South 1460 East, Room 412, Salt Lake City, UT 84112-0114 (United States); Udell, Kent S. [Department of Metallurgical Engineering, The University of Utah, 50 S. Central Campus Dr., Room 2110, Salt Lake City, UT 84112-0114 (United States); Bowman, Robert C. [Department of Metallurgical Engineering, The University of Utah, 135 South 1460 East, Room 412, Salt Lake City, UT 84112-0114 (United States); Vajo, John J.; Purewal, Justin J. [HRL Laboratories, LLC, 3011 Malibu Canyon Road, Malibu, CA 90265 (United States); Kekelia, Bidzina [Department of Metallurgical Engineering, The University of Utah, 50 S. Central Campus Dr., Room 2110, Salt Lake City, UT 84112-0114 (United States)

2015-10-05

Highlights: • The principle of the thermal battery using advanced metal hydrides was demonstrated. • The thermal battery used MgH{sub 2} and TiMnV as a working pair. • High energy density can be achieved by the use of MgH{sub 2} to store thermal energy. - Abstract: A concept of thermal battery based on advanced metal hydrides was studied for heating and cooling of cabins in electric vehicles. The system utilized a pair of thermodynamically matched metal hydrides as energy storage media. The pair of hydrides that was identified and developed was: (1) catalyzed MgH{sub 2} as the high temperature hydride material, due to its high energy density and enhanced kinetics; and (2) TiV{sub 0.62}Mn{sub 1.5} alloy as the matching low temperature hydride. Further, a proof-of-concept prototype was built and tested, demonstrating the potential of the system as HVAC for transportation vehicles.

Exact exchange-correlation potential and approximate exchange potential in terms of density matrices

International Nuclear Information System (INIS)

Holas, A.; March, N.H.

1995-01-01

An exact expression in terms of density matrices (DM) is derived for δF[n]/δn(r), the functional derivative of the Hohenberg-Kohn functional. The derivation starts from the differential form of the virial theorem, obtained here for an electron system with arbitrary interactions, and leads to an expression taking the form of an integral over a path that can be chosen arbitrarily. After applying this approach to the equivalent system of noninteracting electrons (Slater-Kohn-Sham scheme) and combining the corresponding result with the previous one, an exact expression for the exchange-correlation potential v xc (r) is obtained which is analogous in character to that for δF[n]/δn(r), but involving, besides the interacting-system DMs, also the noninteracitng DMs. Equating the former DMs to the latter ones, we reduce the result for the exact v xc (r) to that for an approximate exchange-only potential v x (r). This leads naturally to the Harbola-Sahni exchange-only potential

A numerical study of spin-dependent organization of alkali-metal atomic clusters using density-functional method

International Nuclear Information System (INIS)

Liu Xuan; Ito, Haruhiko; Torikai, Eiko

2012-01-01

We calculate the different geometric isomers of spin clusters composed of a small number of alkali-metal atoms using the UB3LYP density-functional method. The electron density distribution of clusters changes according to the value of total spin. Steric structures as well as planar structures arise when the number of atoms increases. The lowest spin state is the most stable and Li n , Na n , K n , Rb n , and Cs n with n = 2–8 can be formed in higher spin states. In the highest spin state, the preparation of clusters depends on the kind and the number of constituent atoms. The interaction energy between alkali-metal atoms and rare-gas atoms is smaller than the binding energy of spin clusters. Consequently, it is possible to self-organize the alkali-metal-atom clusters on a non-wetting substrate coated with rare-gas atoms.

A numerical study of spin-dependent organization of alkali-metal atomic clusters using density-functional method

Energy Technology Data Exchange (ETDEWEB)

Liu Xuan, E-mail: liu.x.ad@m.titech.ac.jp; Ito, Haruhiko [Interdisciplinary Graduate School of Science and Engineering, Tokyo Institute of Technology (Japan); Torikai, Eiko [Interdisciplinary Graduate School of Medicine and Engineering, University of Yamanashi (Japan)

2012-08-15

We calculate the different geometric isomers of spin clusters composed of a small number of alkali-metal atoms using the UB3LYP density-functional method. The electron density distribution of clusters changes according to the value of total spin. Steric structures as well as planar structures arise when the number of atoms increases. The lowest spin state is the most stable and Li{sub n}, Na{sub n}, K{sub n}, Rb{sub n}, and Cs{sub n} with n = 2-8 can be formed in higher spin states. In the highest spin state, the preparation of clusters depends on the kind and the number of constituent atoms. The interaction energy between alkali-metal atoms and rare-gas atoms is smaller than the binding energy of spin clusters. Consequently, it is possible to self-organize the alkali-metal-atom clusters on a non-wetting substrate coated with rare-gas atoms.

The Production of Polycyclic Aromatic Hydrocarbon Anions in Inert Gas Matrices Doped with Alkali Metals. Electronic Absorption Spectra of the Pentacene Anion (C22H14(-))

Science.gov (United States)

Halasinski, Thomas M.; Hudgins, Douglas M.; Salama, Farid; Allamandola, Louis J.; Mead, Susan (Technical Monitor)

1999-01-01

The absorption spectra of pentacene (C22H14) and its radical cation (C22H14(+)) and anion (C22H14(-)) isolated in inert-gas matrices of Ne, Ar, and Kr are reported from the ultraviolet to the near-infrared. The associated vibronic band systems and their spectroscopic assignments are discussed together with the physical and chemical conditions governing ion (and counterion) production in the solid matrix. In particular, the formation of isolated pentacene anions is found to be optimized in matrices doped with alkali metal (Na and K).

Method for producing metal oxide aerogels having densities less than 0. 02 g/cc

Science.gov (United States)

Tillotson, T.M.; Poco, J.F.; Hrubesh, L.W.; Thomas, I.M.

1994-01-04

A two-step method is described for making transparent aerogels which have a density of less than 0.003 g/cm[sup 3] to those with a density of more than 0.8 g/cm[sup 3], by a sol/gel process and supercritical extraction. Condensed metal oxide intermediate made with purified reagents can be diluted to produce stable aerogels with a density of less than 0.02 g/cm[sup 3]. High temperature, direct supercritical extraction of the liquid phase of the gel produces hydrophobic aerogels which are stable at atmospheric moisture conditions. Monolithic, homogeneous silica aerogels with a density of less than 0.02 to higher than 0.8 g/cm[sup 3], with high thermal insulation capacity, improved mechanical strength and good optical transparency, are described. 7 figures.

A local leaky-box model for the local stellar surface density-gas surface density-gas phase metallicity relation

Science.gov (United States)

Zhu, Guangtun Ben; Barrera-Ballesteros, Jorge K.; Heckman, Timothy M.; Zakamska, Nadia L.; Sánchez, Sebastian F.; Yan, Renbin; Brinkmann, Jonathan

2017-07-01

We revisit the relation between the stellar surface density, the gas surface density and the gas-phase metallicity of typical disc galaxies in the local Universe with the SDSS-IV/MaNGA survey, using the star formation rate surface density as an indicator for the gas surface density. We show that these three local parameters form a tight relationship, confirming previous works (e.g. by the PINGS and CALIFA surveys), but with a larger sample. We present a new local leaky-box model, assuming star-formation history and chemical evolution is localized except for outflowing materials. We derive closed-form solutions for the evolution of stellar surface density, gas surface density and gas-phase metallicity, and show that these parameters form a tight relation independent of initial gas density and time. We show that, with canonical values of model parameters, this predicted relation match the observed one well. In addition, we briefly describe a pathway to improving the current semi-analytic models of galaxy formation by incorporating the local leaky-box model in the cosmological context, which can potentially explain simultaneously multiple properties of Milky Way-type disc galaxies, such as the size growth and the global stellar mass-gas metallicity relation.

Characterization of solidified radioactive waste and container due to the incorporation of high density polyethylene granules and powder in mortar matrices

International Nuclear Information System (INIS)

Peric, A.D.

1999-01-01

Powder and granules of the high density polyethylene (PEHD) were used to prepare mortar based matrices for immobilization of radioactive waste materials containing 137 Cs, as well as containers for solidified radioactive waste form. Seven types of matrices, differ due to the percentage of granules and filler material added, were investigated. PEHD powder and granules were added to mortar matrix preparations with the objective of improving physico-chemical characteristics of the radwaste-mortar matrix mixtures, in particular the leach-rate of the immobilized radionuclide, as well as mechanical characteristics either of mortar matrix and container. In this paper, only mechanical strength aspect of the investigated mortar and concrete container formulations, is presented. The equivalent diameter of the PEHD granules used was 2.0 mm. PEHD granules were used to replace 100 volume percent of stone granules, sifted size of 2.0 mm, normally used in the matrix preparation, in order to decrease the porosity and density of the mortar matrix and to avoid segregation of the stone particles at the bottom of the immobilized radioactive waste cylindrical form. PEHD powder, particle size of 250 micrometer, was added as filler to the mortar formulation, replacing 5, 8 and 10 wt% of the total cement weight in matrix formulation and 15 and 18 wt% of the total cement weight in container formulation. Cured samples were investigated on mechanical strength, using 150 MPa hydraulic press, in order to determine influence of added polyethylene granules and powder on samples resistance to mechanical forces that solidified waste materials and concrete containers may experience at the disposal site. Results of performed investigations have shown that samples prepared with polyethylene granules, replacing 100 wt% of the stone granules, have almost twice as much mechanical strength than samples prepared with stone aggregate. Samples prepared with PEHD granules and powder have mechanical strength

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.

Metal-amplified Density Assays, (MADAs), including a Density-Linked Immunosorbent Assay (DeLISA).

Science.gov (United States)

Subramaniam, Anand Bala; Gonidec, Mathieu; Shapiro, Nathan D; Kresse, Kayleigh M; Whitesides, George M

2015-02-21

This paper reports the development of Metal-amplified Density Assays, or MADAs - a method of conducting quantitative or multiplexed assays, including immunoassays, by using Magnetic Levitation (MagLev) to measure metal-amplified changes in the density of beads labeled with biomolecules. The binding of target analytes (i.e. proteins, antibodies, antigens) to complementary ligands immobilized on the surface of the beads, followed by a chemical amplification of the binding in a form that results in a change in the density of the beads (achieved by using gold nanoparticle-labeled biomolecules, and electroless deposition of gold or silver), translates analyte binding events into changes in density measureable using MagLev. A minimal model based on diffusion-limited growth of hemispherical nuclei on a surface reproduces the dynamics of the assay. A MADA - when performed with antigens and antibodies - is called a Density-Linked Immunosorbent Assay, or DeLISA. Two immunoassays provided a proof of principle: a competitive quantification of the concentration of neomycin in whole milk, and a multiplexed detection of antibodies against Hepatitis C virus NS3 protein and syphilis T. pallidum p47 protein in serum. MADAs, including DeLISAs, require, besides the requisite biomolecules and amplification reagents, minimal specialized equipment (two permanent magnets, a ruler or a capillary with calibrated length markings) and no electrical power to obtain a quantitative readout of analyte concentration. With further development, the method may be useful in resource-limited or point-of-care settings.

Fabrication of Aligned Carbon Nanotube/Polycaprolactone/Gelatin Nanofibrous Matrices for Schwann Cell Immobilization

Directory of Open Access Journals (Sweden)

Shiao-Wen Tsai

2014-01-01

Full Text Available In this study, we utilized a mandrel rotating collector consisting of two parallel, electrically conductive pieces of tape to fabricate aligned electrospun polycaprolactone/gelatin (PG and carbon nanotube/polycaprolactone/gelatin (PGC nanofibrous matrices. Furthermore, we examined the biological performance of the PGC nanofibrous and film matrices using an in vitro culture of RT4-D6P2T rat Schwann cells. Using cell adhesion tests, we found that carbon nanotube inhibited Schwann cell attachment on PGC nanofibrous and film matrices. However, the proliferation rates of Schwann cells were higher when they were immobilized on PGC nanofibrous matrices compared to PGC film matrices. Using western blot analysis, we found that NRG1 and P0 protein expression levels were higher for cells immobilized on PGC nanofibrous matrices compared to PG nanofibrous matrices. However, the carbon nanotube inhibited NRG1 and P0 protein expression in cells immobilized on PGC film matrices. Moreover, the NRG1 and P0 protein expression levels were higher for cells immobilized on PGC nanofibrous matrices compared to PGC film matrices. We found that the matrix topography and composition influenced Schwann cell behavior.

Density functional theory studies of screw dislocation core structures in bcc metals

DEFF Research Database (Denmark)

Frederiksen, Søren Lund; Jacobsen, Karsten Wedel

2003-01-01

The core structures of (I 11) screw dislocations in bee metals are studied using density functional theory in the local-density approximation. For Mo and Fe, direct calculations of the core structures show the cores to be symmetric with respect to 180degrees rotations around an axis perpendicular...... to symmetric core structures for all the studied metals....

TRIGA research reactors with higher power density

International Nuclear Information System (INIS)

Whittemore, W.L.

1994-01-01

The recent trend in new or upgraded research reactors is to higher power densities (hence higher neutron flux levels) but not necessarily to higher power levels. The TRIGA LEU fuel with burnable poison is available in small diameter fuel rods capable of high power per rod (≅48 kW/rod) with acceptable peak fuel temperatures. The performance of a 10-MW research reactor with a compact core of hexagonal TRIGA fuel clusters has been calculated in detail. With its light water coolant, beryllium and D 2 O reflector regions, this reactor can provide in-core experiments with thermal fluxes in excess of 3 x 10 14 n/cm 2 ·s and fast fluxes (>0.1 MeV) of 2 x 10 14 n/cm 2 ·s. The core centerline thermal neutron flux in the D 2 O reflector is about 2 x 10 14 n/cm 2 ·s and the average core power density is about 230 kW/liter. Using other TRIGA fuel developed for 25-MW test reactors but arranged in hexagonal arrays, power densities in excess of 300 kW/liter are readily available. A core with TRIGA fuel operating at 15-MW and generating such a power density is capable of producing thermal neutron fluxes in a D 2 O reflector of 3 x 10 14 n/cm 2 ·s. A beryllium-filled central region of the core can further enhance the core leakage and hence the neutron flux in the reflector. (author)

Density functional theory study on Herzberg-Teller contribution in Raman scattering from 4-aminothiophenol-metal complex and metal-4-aminothiophenol-metal junction

Science.gov (United States)

Liu, Shasha; Zhao, Xiuming; Li, Yuanzuo; Zhao, Xiaohong; Chen, Maodu

2009-06-01

Density functional theory (DFT) and time-dependent DFT calculations have been performed to investigate the Raman scattering spectra of metal-molecule complex and metal-molecule-metal junction architectures interconnected with 4-aminothiophenol (PATP) molecule. The simulated profiles of normal Raman scattering (NRS) spectra for the two complexes (Ag2-PATP and PATP-Au2) and the two junctions (Ag2-PATP-Au2 and Au2-PATP-Ag2) are similar to each other, but exhibit obviously different Raman intensities. Due to the lager static polarizabilities of the two junctions, which directly influence the ground state chemical enhancement in NRS spectra, the calculated normal Raman intensities of them are stronger than those of two complexes by the factor of 102. We calculate preresonance Raman scattering (RRS) spectra with incident light at 1064 nm, which is much lower than the S1 electronic transition energy of complexes and junctions. Ag2-PATP-Au2 and Au2-PATP-Ag2 junctions yield higher Raman intensities than those of Ag2-PATP and PATP-Au2 complexes, especially for b2 modes. This effect is mainly attributed to charge transfer (CT) between the metal gap and the PAPT molecule which results in the occurrence of CT resonance enhancement. The calculated pre-RRS spectra strongly depend on the electronic transition state produced by new structures. With excitation at 514.5 nm, the calculated pre-RRS spectra of two complexes and two junctions are stronger than those of with excitation at 1064 nm. A charge difference densities methodology has been used to visually describe chemical enhancement mechanism of RRS spectrum. This methodology aims at visualizing intermolecular CT which provides direct evidence of the Herzberg-Teller mechanism.

Model for the evolution of network dislocation density in irradiated metals

International Nuclear Information System (INIS)

Garner, F.A.; Wolfer, W.G.

1982-01-01

It is a well-known fact that the total dislocation density that evolves in irradiated metals is a strong function of irradiation temperature. The dislocation density comprises two components, however, and only one of these (Frank loops) retains its temperature dependence at high fluence. The network dislocation density approaches a saturation level which is relatively insensitive to starting microstructure, stress, irradiation temperature, displacement rate and helium level. The latter statement is supported in this paper by a review of published microstructural data. A model has been developed to explain the insensitivity to many variables of the saturation network dislocation density in irradiated metals. This model also explains how the rate of approach to saturation can be sensitive to displacement rate and temperature while the saturation level itself is not dependent on temperature

Elemental Analysis in Biological Matrices Using ICP-MS.

Science.gov (United States)

Hansen, Matthew N; Clogston, Jeffrey D

2018-01-01

The increasing exploration of metallic nanoparticles for use as cancer therapeutic agents necessitates a sensitive technique to track the clearance and distribution of the material once introduced into a living system. Inductively coupled plasma mass spectrometry (ICP-MS) provides a sensitive and selective tool for tracking the distribution of metal components from these nanotherapeutics. This chapter presents a standardized method for processing biological matrices, ensuring complete homogenization of tissues, and outlines the preparation of appropriate standards and controls. The method described herein utilized gold nanoparticle-treated samples; however, the method can easily be applied to the analysis of other metals.

Cholesky decomposed density matrices in Laplace transform Moeller-Plesset perturbation theory

International Nuclear Information System (INIS)

Clin, Lucien Cyril

2012-01-01

The evaluation of correlation energies in the canonical formulation of second order Moeller-Plesset Perturbation Theory (MP2) is limited to systems of about 100 atoms, due to the method's steep O(N 5 ) scaling. In order to extend the method's applicability to larger systems, it is therefore imperative to develop alternative formulations that allow for efficient scaling reduction. One such approach is the Laplace transform formalism introduced by Almloef and Haeser, with which MP2 can be expressed in the basis of atom-centered orbitals (AO-MP2), whose local character allows to take advantage of the short range of correlation effects. The overall scaling can thus be reduced through the application of integral pre-selection schemes to discard all numerically irrelevant contributions to the energy. This dissertation is concerned with the study of Cholesky decomposed pseudo-density (CDD) matrices within this AO-MP2 scheme. For technical reasons, namely, the AO-MP2 implementation of Doser et al. is restricted to the evaluation of the opposite spin component of MP2, and is thus bound to the empirical scaled opposite spin parametrization procedure. Applying a Cholesky decomposition to the occurring pseudo-density matrices, the same spin component required for full MP2 energies is naturally included in the resulting CDD-MP2 method, whereby the ab initio character is restored. The investigation of the CDD-approach was further motivated by the fact that the orbitals generated by the decomposition are localized (for electronically non-delocalized systems), and thus allow for the pre-selection of only numerically significant integrals. However, although it could be shown on simple systems that the method does in principle scale linearly, its application to even moderately sized systems with large basis sets is yet hampered by severe technical and numerical difficulties, which are analysed and discussed in detail. Another closely related project has been to extend the RI-CDD-MP2

Products of random matrices from fixed trace and induced Ginibre ensembles

Science.gov (United States)

Akemann, Gernot; Cikovic, Milan

2018-05-01

We investigate the microcanonical version of the complex induced Ginibre ensemble, by introducing a fixed trace constraint for its second moment. Like for the canonical Ginibre ensemble, its complex eigenvalues can be interpreted as a two-dimensional Coulomb gas, which are now subject to a constraint and a modified, collective confining potential. Despite the lack of determinantal structure in this fixed trace ensemble, we compute all its density correlation functions at finite matrix size and compare to a fixed trace ensemble of normal matrices, representing a different Coulomb gas. Our main tool of investigation is the Laplace transform, that maps back the fixed trace to the induced Ginibre ensemble. Products of random matrices have been used to study the Lyapunov and stability exponents for chaotic dynamical systems, where the latter are based on the complex eigenvalues of the product matrix. Because little is known about the universality of the eigenvalue distribution of such product matrices, we then study the product of m induced Ginibre matrices with a fixed trace constraint—which are clearly non-Gaussian—and M  ‑  m such Ginibre matrices without constraint. Using an m-fold inverse Laplace transform, we obtain a concise result for the spectral density of such a mixed product matrix at finite matrix size, for arbitrary fixed m and M. Very recently local and global universality was proven by the authors and their coworker for a more general, single elliptic fixed trace ensemble in the bulk of the spectrum. Here, we argue that the spectral density of mixed products is in the same universality class as the product of M independent induced Ginibre ensembles.

Metal viscoplasticity with two-temperature thermodynamics and two dislocation densities

Science.gov (United States)

Roy Chowdhury, Shubhankar; Kar, Gurudas; Roy, Debasish; Reddy, J. N.

2018-03-01

Posed within the two-temperature theory of non-equilibrium thermodynamics, we propose a model for thermoviscoplastic deformation in metals. We incorporate the dynamics of dislocation densities-mobile and forest—that play the role of internal state variables in the formulation. The description based on two temperatures appears naturally when one recognizes that the thermodynamic system undergoing viscoplastic deformation is composed of two weakly interacting subsystems, viz. a kinetic-vibrational subsystem of the vibrating atomic lattices and a configurational subsystem of the slower degrees of freedom relating to defect motion, each with its own temperature. Starting with a basic model that involves only homogeneous deformation, a three-dimensional model for inhomogeneous viscoplasticity applicable to finite deformation is charted out in an overstress driven viscoplastic deformation framework. The model shows how the coupled evolutions of mobile and forest dislocation densities, which are critically influenced by the dynamics of configurational temperature, govern the strength and ductility of the metal. Unlike most contemporary models, the current proposal also affords a prediction of certain finer details as observed in the experimental data on stress-strain behaviour of metals and this in turn enhances the understanding of the evolving and interacting dislocation densities.

Pathological rate matrices: from primates to pathogens

Directory of Open Access Journals (Sweden)

Knight Rob

2008-12-01

é algorithm does not facilitate caching of intermediate results, it was up to 3× faster than eigendecomposition on the same matrices. Conclusion Development of robust software for computing non-reversible dinucleotide, codon and higher evolutionary models requires implementation of the Padé with scaling and squaring algorithm.

Cholesky decomposed density matrices in Laplace transform Moeller-Plesset perturbation theory

Energy Technology Data Exchange (ETDEWEB)

Clin, Lucien Cyril

2012-06-04

The evaluation of correlation energies in the canonical formulation of second order Moeller-Plesset Perturbation Theory (MP2) is limited to systems of about 100 atoms, due to the method's steep O(N{sup 5}) scaling. In order to extend the method's applicability to larger systems, it is therefore imperative to develop alternative formulations that allow for efficient scaling reduction. One such approach is the Laplace transform formalism introduced by Almloef and Haeser, with which MP2 can be expressed in the basis of atom-centered orbitals (AO-MP2), whose local character allows to take advantage of the short range of correlation effects. The overall scaling can thus be reduced through the application of integral pre-selection schemes to discard all numerically irrelevant contributions to the energy. This dissertation is concerned with the study of Cholesky decomposed pseudo-density (CDD) matrices within this AO-MP2 scheme. For technical reasons, namely, the AO-MP2 implementation of Doser et al. is restricted to the evaluation of the opposite spin component of MP2, and is thus bound to the empirical scaled opposite spin parametrization procedure. Applying a Cholesky decomposition to the occurring pseudo-density matrices, the same spin component required for full MP2 energies is naturally included in the resulting CDD-MP2 method, whereby the ab initio character is restored. The investigation of the CDD-approach was further motivated by the fact that the orbitals generated by the decomposition are localized (for electronically non-delocalized systems), and thus allow for the pre-selection of only numerically significant integrals. However, although it could be shown on simple systems that the method does in principle scale linearly, its application to even moderately sized systems with large basis sets is yet hampered by severe technical and numerical difficulties, which are analysed and discussed in detail. Another closely related project has been to extend

Density changes in shear bands of a metallic glass determined by correlative analytical transmission electron microscopy

Energy Technology Data Exchange (ETDEWEB)

Rösner, Harald, E-mail: rosner@uni-muenster.de [Institut für Materialphysik, Westfälische Wilhelms-Universität Münster, Wilhelm-Klemm-Strasse 10, D-48149 Münster (Germany); Peterlechner, Martin [Institut für Materialphysik, Westfälische Wilhelms-Universität Münster, Wilhelm-Klemm-Strasse 10, D-48149 Münster (Germany); Kübel, Christian [Karlsruhe Institute of Technology (KIT), Institute of Nanotechnology (INT), Hermann-von-Helmholtz-Platz 1, D-76344 Eggenstein-Leopoldshafen (Germany); Karlsruhe Nano Micro Facility (KNMF), Karlsruhe Institute of Technology (KIT), D-76344 Eggenstein-Leopoldshafen (Germany); Schmidt, Vitalij [Institut für Materialphysik, Westfälische Wilhelms-Universität Münster, Wilhelm-Klemm-Strasse 10, D-48149 Münster (Germany); Wilde, Gerhard [Institut für Materialphysik, Westfälische Wilhelms-Universität Münster, Wilhelm-Klemm-Strasse 10, D-48149 Münster (Germany); Institute of Nanochemistry and Nanobiology, School of Environmental and Chemical Engineering, Shanghai University, Shanghai 200444 (China)

2014-07-01

Density changes between sheared zones and their surrounding amorphous matrix as a result of plastic deformation in a cold-rolled metallic glass (melt-spun Al{sub 88}Y{sub 7}Fe{sub 5}) were determined using high-angle annular dark-field (HAADF) detector intensities supplemented by electron-energy loss spectroscopy (EELS), energy-dispersive X-ray (EDX) and nano-beam diffraction analyses. Sheared zones or shear bands were observed as regions of bright or dark contrast arising from a higher or lower density relative to the matrix. Moreover, abrupt contrast changes from bright to dark and vice versa were found within individual shear bands. We associate the decrease in density mainly with an enhanced free volume in the shear bands and the increase in density with concomitant changes of the mass. This interpretation is further supported by changes in the zero loss and Plasmon signal originating from such sites. The limits of this new approach are discussed. - Highlights: • We describe a novel approach for measuring densities in shear bands of metallic glasses. • The linear relation of the dark-field intensity I/I{sub 0} and the mass thickness ρt was used. • Individual shear bands showed abrupt contrast changes from bright to dark and vice versa. • Density changes ranging from about −10% to +6% were found for such shear bands. • Mixtures of amorphous/medium range ordered domains were found within the shear bands.

MALDI matrices for low molecular weight compounds: an endless story?

Science.gov (United States)

Calvano, Cosima Damiana; Monopoli, Antonio; Cataldi, Tommaso R I; Palmisano, Francesco

2018-04-23

Since its introduction in the 1980s, matrix-assisted laser desorption/ionization mass spectrometry (MALDI MS) has gained a prominent role in the analysis of high molecular weight biomolecules such as proteins, peptides, oligonucleotides, and polysaccharides. Its application to low molecular weight compounds has remained for long time challenging due to the spectral interferences produced by conventional organic matrices in the low m/z window. To overcome this problem, specific sample preparation such as analyte/matrix derivatization, addition of dopants, or sophisticated deposition technique especially useful for imaging experiments, have been proposed. Alternative approaches based on second generation (rationally designed) organic matrices, ionic liquids, and inorganic matrices, including metallic nanoparticles, have been the object of intense and continuous research efforts. Definite evidences are now provided that MALDI MS represents a powerful and invaluable analytical tool also for small molecules, including their quantification, thus opening new, exciting applications in metabolomics and imaging mass spectrometry. This review is intended to offer a concise critical overview of the most recent achievements about MALDI matrices capable of specifically address the challenging issue of small molecules analysis. Graphical abstract An ideal Book of matrices for MALDI MS of small molecules.

Nanostructured metal sulfides for energy storage

Science.gov (United States)

Rui, Xianhong; Tan, Huiteng; Yan, Qingyu

2014-08-01

Advanced electrodes with a high energy density at high power are urgently needed for high-performance energy storage devices, including lithium-ion batteries (LIBs) and supercapacitors (SCs), to fulfil the requirements of future electrochemical power sources for applications such as in hybrid electric/plug-in-hybrid (HEV/PHEV) vehicles. Metal sulfides with unique physical and chemical properties, as well as high specific capacity/capacitance, which are typically multiple times higher than that of the carbon/graphite-based materials, are currently studied as promising electrode materials. However, the implementation of these sulfide electrodes in practical applications is hindered by their inferior rate performance and cycling stability. Nanostructures offering the advantages of high surface-to-volume ratios, favourable transport properties, and high freedom for the volume change upon ion insertion/extraction and other reactions, present an opportunity to build next-generation LIBs and SCs. Thus, the development of novel concepts in material research to achieve new nanostructures paves the way for improved electrochemical performance. Herein, we summarize recent advances in nanostructured metal sulfides, such as iron sulfides, copper sulfides, cobalt sulfides, nickel sulfides, manganese sulfides, molybdenum sulfides, tin sulfides, with zero-, one-, two-, and three-dimensional morphologies for LIB and SC applications. In addition, the recently emerged concept of incorporating conductive matrices, especially graphene, with metal sulfide nanomaterials will also be highlighted. Finally, some remarks are made on the challenges and perspectives for the future development of metal sulfide-based LIB and SC devices.

Averaging operations on matrices

Indian Academy of Sciences (India)

2014-07-03

Jul 3, 2014 ... Role of Positive Definite Matrices. • Diffusion Tensor Imaging: 3 × 3 pd matrices model water flow at each voxel of brain scan. • Elasticity: 6 × 6 pd matrices model stress tensors. • Machine Learning: n × n pd matrices occur as kernel matrices. Tanvi Jain. Averaging operations on matrices ...

Application of High-Density Electropulsing to Improve the Performance of Metallic Materials: Mechanisms, Microstructure and Properties

Science.gov (United States)

Sheng, Yinying; Hua, Youlu; Zhao, Xueyang; Chen, Lianxi; Zhou, Hanyu; Wang, James; Berndt, Christopher C.; Li, Wei

2018-01-01

The technology of high-density electropulsing has been applied to increase the performance of metallic materials since the 1990s and has shown significant advantages over traditional heat treatment in many aspects. However, the microstructure changes in electropulsing treatment (EPT) metals and alloys have not been fully explored, and the effects vary significantly on different material. When high-density electrical pulses are applied to metals and alloys, the input of electric energy and thermal energy generally leads to structural rearrangements, such as dynamic recrystallization, dislocation movements and grain refinement. The enhanced mechanical properties of the metals and alloys after high-density electropulsing treatment are reflected by the significant improvement of elongation. As a result, this technology holds great promise in improving the deformation limit and repairing cracks and defects in the plastic processing of metals. This review summarizes the effect of high-density electropulsing treatment on microstructural properties and, thus, the enhancement in mechanical strength, hardness and corrosion performance of metallic materials. It is noteworthy that the change of some properties can be related to the structure state before EPT (quenched, annealed, deformed or others). The mechanisms for the microstructural evolution, grain refinement and formation of oriented microstructures of different metals and alloys are presented. Future research trends of high-density electrical pulse technology for specific metals and alloys are highlighted. PMID:29364844

Application of High-Density Electropulsing to Improve the Performance of Metallic Materials: Mechanisms, Microstructure and Properties

Directory of Open Access Journals (Sweden)

Yinying Sheng

2018-01-01

Full Text Available The technology of high-density electropulsing has been applied to increase the performance of metallic materials since the 1990s and has shown significant advantages over traditional heat treatment in many aspects. However, the microstructure changes in electropulsing treatment (EPT metals and alloys have not been fully explored, and the effects vary significantly on different material. When high-density electrical pulses are applied to metals and alloys, the input of electric energy and thermal energy generally leads to structural rearrangements, such as dynamic recrystallization, dislocation movements and grain refinement. The enhanced mechanical properties of the metals and alloys after high-density electropulsing treatment are reflected by the significant improvement of elongation. As a result, this technology holds great promise in improving the deformation limit and repairing cracks and defects in the plastic processing of metals. This review summarizes the effect of high-density electropulsing treatment on microstructural properties and, thus, the enhancement in mechanical strength, hardness and corrosion performance of metallic materials. It is noteworthy that the change of some properties can be related to the structure state before EPT (quenched, annealed, deformed or others. The mechanisms for the microstructural evolution, grain refinement and formation of oriented microstructures of different metals and alloys are presented. Future research trends of high-density electrical pulse technology for specific metals and alloys are highlighted.

Application of High-Density Electropulsing to Improve the Performance of Metallic Materials: Mechanisms, Microstructure and Properties.

Science.gov (United States)

Sheng, Yinying; Hua, Youlu; Wang, Xiaojian; Zhao, Xueyang; Chen, Lianxi; Zhou, Hanyu; Wang, James; Berndt, Christopher C; Li, Wei

2018-01-24

The technology of high-density electropulsing has been applied to increase the performance of metallic materials since the 1990s and has shown significant advantages over traditional heat treatment in many aspects. However, the microstructure changes in electropulsing treatment (EPT) metals and alloys have not been fully explored, and the effects vary significantly on different material. When high-density electrical pulses are applied to metals and alloys, the input of electric energy and thermal energy generally leads to structural rearrangements, such as dynamic recrystallization, dislocation movements and grain refinement. The enhanced mechanical properties of the metals and alloys after high-density electropulsing treatment are reflected by the significant improvement of elongation. As a result, this technology holds great promise in improving the deformation limit and repairing cracks and defects in the plastic processing of metals. This review summarizes the effect of high-density electropulsing treatment on microstructural properties and, thus, the enhancement in mechanical strength, hardness and corrosion performance of metallic materials. It is noteworthy that the change of some properties can be related to the structure state before EPT (quenched, annealed, deformed or others). The mechanisms for the microstructural evolution, grain refinement and formation of oriented microstructures of different metals and alloys are presented. Future research trends of high-density electrical pulse technology for specific metals and alloys are highlighted.

Use of mud from metallic surface treatment industries as additive to ceramic matrices

Directory of Open Access Journals (Sweden)

Corpas Iglesias, F. A.

2011-06-01

Full Text Available Ceramic processing is one of the most efficient and environmentally friendly solutions to the enormous amounts of industrial mud produced in metal surface treatments. Moreover, ceramized products may represent an important secondary source to replace clay materials and cut down manufacturing costs. After characterization, in order to prepare specimens by uniaxial die pressing, mud was incorporated into a clay matrix at rates between 1 and 5 wt %. Compression strength, linear contraction, suction capacity and water absorption of the moulded materials were evaluated. Finally, metal leakage was characterized through chemical analysis of lixiviates. The results showed an improvement in mechanical properties following the incorporation of mud into the ceramic materials. The resulting materials meet health and safety regulations regarding dangerous waste recycling.

La ceramización es una de las soluciones más eficientes y medioambientalmente más ecológicas para las enormes cantidades de lodos industriales que se producen en el tratamiento de superficies metálicas. Además estos lodos convenientemente ceramizados pueden representar una fuente de materia prima que sustituya en parte el consumo de arcilla, lo que se traduce en una disminución de los costes de fabricación. Tras caracterizarse, los lodos fueron incorporados en la matriz cerámica en proporciones desde el 1% hasta el 5%, fabricándose así piezas cerámicas por compresión uniaxial en seco. A las piezas conformadas se les midieron una serie de características tecnológicas tales como la resistencia a la compresión, la contracción lineal, capacidad de succión y la absorción de agua. Finalmente se realizaron análisis químicos de lixiviados para evaluar la liberación al medio de metales. Los resultados conseguidos muestran una mejora de las propiedades mecánicas tras la inclusión de los lodos en matrices cerámicas. Los materiales así fabricados satisfacen la normativa

Asymmetric correlation matrices: an analysis of financial data

Science.gov (United States)

Livan, G.; Rebecchi, L.

2012-06-01

We analyse the spectral properties of correlation matrices between distinct statistical systems. Such matrices are intrinsically non-symmetric, and lend themselves to extend the spectral analyses usually performed on standard Pearson correlation matrices to the realm of complex eigenvalues. We employ some recent random matrix theory results on the average eigenvalue density of this type of matrix to distinguish between noise and non-trivial correlation structures, and we focus on financial data as a case study. Namely, we employ daily prices of stocks belonging to the American and British stock exchanges, and look for the emergence of correlations between two such markets in the eigenvalue spectrum of their non-symmetric correlation matrix. We find several non trivial results when considering time-lagged correlations over short lags, and we corroborate our findings by additionally studying the asymmetric correlation matrix of the principal components of our datasets.

Metal-air batteries with high energy density: Li-air versus Zn-air

Energy Technology Data Exchange (ETDEWEB)

Lee, Jang-Soo; Sun, Tai Kim; Cao, Ruiguo; Choi, Nam-Soon; Lee, Kyu Tae; Cho, Jaephil [Interdisciplinary School of Green Energy, Ulsan National Institute of Science and Technology (UNIST), Ulsan (Korea, Republic of); Liu, Meilin [School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, GA (United States)

2011-01-01

In the past decade, there have been exciting developments in the field of lithium ion batteries as energy storage devices, resulting in the application of lithium ion batteries in areas ranging from small portable electric devices to large power systems such as hybrid electric vehicles. However, the maximum energy density of current lithium ion batteries having topatactic chemistry is not sufficient to meet the demands of new markets in such areas as electric vehicles. Therefore, new electrochemical systems with higher energy densities are being sought, and metal-air batteries with conversion chemistry are considered a promising candidate. More recently, promising electrochemical performance has driven much research interest in Li-air and Zn-air batteries. This review provides an overview of the fundamentals and recent progress in the area of Li-air and Zn-air batteries, with the aim of providing a better understanding of the new electrochemical systems. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

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.

Point defect stability in a semicoherent metallic interface

Science.gov (United States)

González, C.; Iglesias, R.; Demkowicz, M. J.

2015-02-01

We present a comprehensive density functional theory (DFT) -based study of different aspects of one vacancy and He impurity atom behavior at semicoherent interfaces between the low-solubility transition metals Cu and Nb. Such interfaces have not been previously modeled using DFT. A thorough analysis of the stability and mobility of the two types of defects at the interfaces and neighboring internal layers has been performed and the results have been compared to the equivalent cases in the pure metallic matrices. The different behavior of fcc and bcc metals on both sides of the interface has been specifically assessed. The modeling effort undertaken is the first attempt to study the stability and defect energetics of noncoherent Cu/Nb interfaces from first principles, in order to assess their potential use in radiation-resistant materials.

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.)

VanderLaan Circulant Type Matrices

Directory of Open Access Journals (Sweden)

Hongyan Pan

2015-01-01

Full Text Available Circulant matrices have become a satisfactory tools in control methods for modern complex systems. In the paper, VanderLaan circulant type matrices are presented, which include VanderLaan circulant, left circulant, and g-circulant matrices. The nonsingularity of these special matrices is discussed by the surprising properties of VanderLaan numbers. The exact determinants of VanderLaan circulant type matrices are given by structuring transformation matrices, determinants of well-known tridiagonal matrices, and tridiagonal-like matrices. The explicit inverse matrices of these special matrices are obtained by structuring transformation matrices, inverses of known tridiagonal matrices, and quasi-tridiagonal matrices. Three kinds of norms and lower bound for the spread of VanderLaan circulant and left circulant matrix are given separately. And we gain the spectral norm of VanderLaan g-circulant matrix.

The chiral Gaussian two-matrix ensemble of real asymmetric matrices

International Nuclear Information System (INIS)

Akemann, G; Phillips, M J; Sommers, H-J

2010-01-01

We solve a family of Gaussian two-matrix models with rectangular N x (N + ν) matrices, having real asymmetric matrix elements and depending on a non-Hermiticity parameter μ. Our model can be thought of as the chiral extension of the real Ginibre ensemble, relevant for Dirac operators in the same symmetry class. It has the property that its eigenvalues are either real, purely imaginary or come in complex conjugate eigenvalue pairs. The eigenvalue joint probability distribution for our model is explicitly computed, leading to a non-Gaussian distribution including K-Bessel functions. All n-point density correlation functions are expressed for finite N in terms of a Pfaffian form. This contains a kernel involving Laguerre polynomials in the complex plane as a building block which was previously computed by the authors. This kernel can be expressed in terms of the kernel for complex non-Hermitian matrices, generalizing the known relation among ensembles of Hermitian random matrices. Compact expressions are given for the density at finite N as an example, as well as its microscopic large-N limits at the origin for fixed ν at strong and weak non-Hermiticity.

The Incorporation of Lithium Alloying Metals into Carbon Matrices for Lithium Ion Battery Anodes

Science.gov (United States)

Hays, Kevin A.

An increased interest in renewable energies and alternative fuels has led to recognition of the necessity of wide scale adoption of the electric vehicle. Automotive manufacturers have striven to produce an electric vehicle that can match the range of their petroleum-fueled counterparts. However, the state-of-the-art lithium ion batteries used to power the current offerings still do not come close to the necessary energy density. The energy and power densities of the lithium ion batteries must be increased significantly if they are going to make electric vehicles a viable option. The chemistry of the lithium ion battery, based on lithium cobalt oxide cathodes and graphite anodes, is limited by the amount of lithium the cathode can provide and the anode will accept. While these materials have proven themselves in portable electronics over the past two decades, plausible higher energy alternatives do exist. The focus is of this study is on anode materials that could achieve a capacity of more than 3 times greater than that of graphite anodes. The lithium alloying anode materials investigated and reported herein include tin, arsenic, and gallium arsenide. These metals were synthesized with nanoscale dimensions, improving their electrochemical and mechanical properties. Each exhibits their own benefits and challenges, but all display opportunities for incorporation in lithium ion batteries. Tin is incorporated in multilayer graphene nanoshells by introducing small amounts of metal in the core and, separately, on the outside of these spheres. Electrolyte decomposition on the anode limits cycle life of the tin cores, however, tin vii oxides introduced outside of the multilayer graphene nanoshells have greatly improved long term battery performance. Arsenic is a lithium alloying metal that has largely been ignored by the research community to date. One of the first long term battery performance tests of arsenic is reported in this thesis. Anodes were made from nanoscale

Indirect, reversible high-density hydrogen storage in compact metal ammine salts

DEFF Research Database (Denmark)

Sørensen, Rasmus Zink; Hummelshøj, Jens Strabo; Klerke, Asbjørn

2008-01-01

The indirect hydrogen storage capabilities of Mg(NH3)(6)Cl-2, Ca(NH3)(6)Cl-2, Mn(NH3)(6)Cl-2, and Ni(NH3)(6)Cl-2 are investigated. All four metal ammine chlorides can be compacted to solid tablets with densities of at least 95% of the crystal density. This gives very high indirect hydrogen...

Nano-Fiber Reinforced Enhancements in Composite Polymer Matrices

Science.gov (United States)

Chamis, Christos C.

2009-01-01

Nano-fibers are used to reinforce polymer matrices to enhance the matrix dependent properties that are subsequently used in conventional structural composites. A quasi isotropic configuration is used in arranging like nano-fibers through the thickness to ascertain equiaxial enhanced matrix behavior. The nano-fiber volume ratios are used to obtain the enhanced matrix strength properties for 0.01,0.03, and 0.05 nano-fiber volume rates. These enhanced nano-fiber matrices are used with conventional fiber volume ratios of 0.3 and 0.5 to obtain the composite properties. Results show that nano-fiber enhanced matrices of higher than 0.3 nano-fiber volume ratio are degrading the composite properties.

Behavior of Lithium Metal Anodes under Various Capacity Utilization and High Current Density in Lithium Metal Batteries

Energy Technology Data Exchange (ETDEWEB)

Jiao, Shuhong; Zheng, Jianming; Li, Qiuyan; Li, Xing; Engelhard, Mark H.; Cao, Ruiguo; Zhang, Ji-Guang; Xu, Wu

2018-01-01

Lithium (Li) metal batteries (LMBs) are regarded as the most promising power sources for electric vehicles. Besides the Li dendrite growth and low Li Coulombic efficiency, how to well match Li metal anode with a high loading (normally over 3.0 mAh cm-2) cathode is another key challenge to achieve the real high energy density battery. In this work, we systematically investigate the effects of the Li metal capacity usage in each cycle, manipulated by varying the cathode areal loading, on the stability of Li metal anode and the cycling performance of LMBs using the LiNi1/3Mn1/3Co1/3O2 (NMC) cathode and an additive-containing dual-salt/carbonate-solvent electrolyte. It is demonstrated that the Li||NMC cells show decent long-term cycling performance even with NMC areal capacity loading up to ca. 4.0 mAh cm-2 and at a charge current density of 1.0 mA cm-2. The increase of the Li capacity usage in each cycle causes variation in the components of the solid electrolyte interphase (SEI) layer on Li metal anode and generates more ionic conductive species from this electrolyte. Further study reveals for the first time that the degradation of Li metal anode and the thickness of SEI layer on Li anode show linear relationship with the areal capacity of NMC cathode. Meanwhile, the expansion rate of consumed Li and the ratio of SEI thickness to NMC areal loading are kept almost the same value with increasing cathode loading, respectively. These fundamental findings provide new perspectives on the rational evaluation of Li metal anode stability for the development of rechargeable LMBs.

Density functional theory studies of transition metal nanoparticles in catalysis

DEFF Research Database (Denmark)

Greeley, Jeffrey Philip; Rankin, Rees; Zeng, Zhenhua

2013-01-01

Periodic Density Functional Theory calculations are capable of providing powerful insights into the structural, energetics, and electronic phenomena that underlie heterogeneous catalysis on transition metal nanoparticles. Such calculations are now routinely applied to single crystal metal surfaces...... and to subnanometer metal clusters. Descriptions of catalysis on truly nanosized structures, however, are generally not as well developed. In this talk, I will illustrate different approaches to analyzing nanocatalytic phenomena with DFT calculations. I will describe case studies from heterogeneous catalysis...... and electrocatalysis, in which single crystal models are combined with Wulff construction-based ideas to produce descriptions of average nanocatalyst behavior. Then, I will proceed to describe explicitly DFT-based descriptions of catalysis on truly nanosized particles (

Fabrication of ultrahigh density metal-cell-metal crossbar memory devices with only two cycles of lithography and dry-etch procedures

KAUST Repository

Zong, Baoyu; Goh, J. Y.; Guo, Zaibing; Luo, Ping; Wang, Chenchen; Qiu, Jinjun; Ho, Pin; Chen, Yunjie; Zhang, Mingsheng; Han, Guchang

2013-01-01

A novel approach to the fabrication of metal-cell-metal trilayer memory devices was demonstrated by using only two cycles of lithography and dry-etch procedures. The fabricated ultrahigh density crossbar devices can be scaled down to ≤70 nm in half

Surface density: a new parameter in the fundamental metallicity relation of star-forming galaxies

Science.gov (United States)

Hashimoto, Tetsuya; Goto, Tomotsugu; Momose, Rieko

2018-04-01

Star-forming galaxies display a close relation among stellar mass, metallicity, and star formation rate (or molecular-gas mass). This is known as the fundamental metallicity relation (FMR) (or molecular-gas FMR), and it has a profound implication on models of galaxy evolution. However, there still remains a significant residual scatter around the FMR. We show here that a fourth parameter, the surface density of stellar mass, reduces the dispersion around the molecular-gas FMR. In a principal component analysis of 29 physical parameters of 41 338 star-forming galaxies, the surface density of stellar mass is found to be the fourth most important parameter. The new 4D fundamental relation forms a tighter hypersurface that reduces the metallicity dispersion to 50 per cent of that of the molecular-gas FMR. We suggest that future analyses and models of galaxy evolution should consider the FMR in a 4D space that includes surface density. The dilution time-scale of gas inflow and the star-formation efficiency could explain the observational dependence on surface density of stellar mass.

Density dependent effective interactions

International Nuclear Information System (INIS)

Dortmans, P.J.; Amos, K.

1994-01-01

An effective nucleon-nucleon interaction is defined by an optimal fit to select on-and half-off-of-the-energy shell t-and g-matrices determined by solutions of the Lippmann-Schwinger and Brueckner-Bethe-Goldstone equations with the Paris nucleon-nucleon interaction as input. As such, it is seen to better reproduce the interaction on which it is based than other commonly used density dependent effective interactions. The new (medium modified) effective interaction when folded with appropriate density matrices, has been used to define proton- 12 C and proton- 16 O optical potentials. With them elastic scattering data are well fit and the medium effects identifiable. 23 refs., 8 figs

A Conceptual Cost Benefit Analysis of Tailings Matrices Use in Construction Applications

Directory of Open Access Journals (Sweden)

Mahmood Ali A.

2016-01-01

Full Text Available As part of a comprehensive research program, new tailings matrices are formulated of combinations of tailings and binder materials. The research program encompasses experimental and numerical analysis of the tailings matrices to investigate the feasibility of using them as construction materials in cold climates. This paper discusses a conceptual cost benefit analysis for the use of these new materials. It is shown here that the financial benefits of using the proposed new tailings matrices in terms of environmental sustainability are much higher when compared to normal sand matrices.

Electronic annealing Fermi operator expansion for DFT calculations on metallic systems

Science.gov (United States)

Aarons, Jolyon; Skylaris, Chris-Kriton

2018-02-01

Density Functional Theory (DFT) calculations with computational effort which increases linearly with the number of atoms (linear-scaling DFT) have been successfully developed for insulators, taking advantage of the exponential decay of the one-particle density matrix. For metallic systems, the density matrix is also expected to decay exponentially at finite electronic temperature and linear-scaling DFT methods should be possible by taking advantage of this decay. Here we present a method for DFT calculations at finite electronic temperature for metallic systems which is effectively linear-scaling (O(N)). Our method generates the elements of the one-particle density matrix and also finds the required chemical potential and electronic entropy using polynomial expansions. A fixed expansion length is always employed to generate the density matrix, without any loss in accuracy by the application of a high electronic temperature followed by successive steps of temperature reduction until the desired (low) temperature density matrix is obtained. We have implemented this method in the ONETEP linear-scaling (for insulators) DFT code which employs local orbitals that are optimised in situ. By making use of the sparse matrix machinery of ONETEP, our method exploits the sparsity of Hamiltonian and density matrices to perform calculations on metallic systems with computational cost that increases asymptotically linearly with the number of atoms. We demonstrate the linear-scaling computational cost of our method with calculation times on palladium nanoparticles with up to ˜13 000 atoms.

Calibration of Ge gamma-ray spectrometers for complex sample geometries and matrices

Energy Technology Data Exchange (ETDEWEB)

Semkow, T.M., E-mail: thomas.semkow@health.ny.gov [Wadsworth Center, New York State Department of Health, Empire State Plaza, Albany, NY 12201 (United States); Department of Environmental Health Sciences, School of Public Health, University at Albany, State University of New York, Rensselaer, NY 12144 (United States); Bradt, C.J.; Beach, S.E.; Haines, D.K.; Khan, A.J.; Bari, A.; Torres, M.A.; Marrantino, J.C.; Syed, U.-F. [Wadsworth Center, New York State Department of Health, Empire State Plaza, Albany, NY 12201 (United States); Kitto, M.E. [Wadsworth Center, New York State Department of Health, Empire State Plaza, Albany, NY 12201 (United States); Department of Environmental Health Sciences, School of Public Health, University at Albany, State University of New York, Rensselaer, NY 12144 (United States); Hoffman, T.J. [Wadsworth Center, New York State Department of Health, Empire State Plaza, Albany, NY 12201 (United States); Curtis, P. [Kiltel Systems, Inc., Clyde Hill, WA 98004 (United States)

2015-11-01

A comprehensive study of the efficiency calibration and calibration verification of Ge gamma-ray spectrometers was performed using semi-empirical, computational Monte-Carlo (MC), and transfer methods. The aim of this study was to evaluate the accuracy of the quantification of gamma-emitting radionuclides in complex matrices normally encountered in environmental and food samples. A wide range of gamma energies from 59.5 to 1836.0 keV and geometries from a 10-mL jar to 1.4-L Marinelli beaker were studied on four Ge spectrometers with the relative efficiencies between 102% and 140%. Density and coincidence summing corrections were applied. Innovative techniques were developed for the preparation of artificial complex matrices from materials such as acidified water, polystyrene, ethanol, sugar, and sand, resulting in the densities ranging from 0.3655 to 2.164 g cm{sup −3}. They were spiked with gamma activity traceable to international standards and used for calibration verifications. A quantitative method of tuning MC calculations to experiment was developed based on a multidimensional chi-square paraboloid. - Highlights: • Preparation and spiking of traceable complex matrices in extended geometries. • Calibration of Ge gamma spectrometers for complex matrices. • Verification of gamma calibrations. • Comparison of semi-empirical, computational Monte Carlo, and transfer methods of Ge calibration. • Tuning of Monte Carlo calculations using a multidimensional paraboloid.

Calibration of Ge gamma-ray spectrometers for complex sample geometries and matrices

International Nuclear Information System (INIS)

Semkow, T.M.; Bradt, C.J.; Beach, S.E.; Haines, D.K.; Khan, A.J.; Bari, A.; Torres, M.A.; Marrantino, J.C.; Syed, U.-F.; Kitto, M.E.; Hoffman, T.J.; Curtis, P.

2015-01-01

A comprehensive study of the efficiency calibration and calibration verification of Ge gamma-ray spectrometers was performed using semi-empirical, computational Monte-Carlo (MC), and transfer methods. The aim of this study was to evaluate the accuracy of the quantification of gamma-emitting radionuclides in complex matrices normally encountered in environmental and food samples. A wide range of gamma energies from 59.5 to 1836.0 keV and geometries from a 10-mL jar to 1.4-L Marinelli beaker were studied on four Ge spectrometers with the relative efficiencies between 102% and 140%. Density and coincidence summing corrections were applied. Innovative techniques were developed for the preparation of artificial complex matrices from materials such as acidified water, polystyrene, ethanol, sugar, and sand, resulting in the densities ranging from 0.3655 to 2.164 g cm −3 . They were spiked with gamma activity traceable to international standards and used for calibration verifications. A quantitative method of tuning MC calculations to experiment was developed based on a multidimensional chi-square paraboloid. - Highlights: • Preparation and spiking of traceable complex matrices in extended geometries. • Calibration of Ge gamma spectrometers for complex matrices. • Verification of gamma calibrations. • Comparison of semi-empirical, computational Monte Carlo, and transfer methods of Ge calibration. • Tuning of Monte Carlo calculations using a multidimensional paraboloid

Fabrication and Microstructure of Metal-Metal Syntactic Foams

National Research Council Canada - National Science Library

Nadler, J

1998-01-01

.... The composite microstructure consists of thin-wall, hollow Fe-Cr stainless steel spheres cast in various metal matrices including aluminum alloys 6061, 7075, 413, magnesium alloy AZ31B, and unalloyed...

Optical nonlinearities of excitonic states in atomically thin 2D transition metal dichalcogenides

Energy Technology Data Exchange (ETDEWEB)

Soh, Daniel Beom Soo [Sandia National Lab. (SNL-CA), Livermore, CA (United States). Proliferation Signatures Discovery and Exploitation Department

2017-08-01

We calculated the optical nonlinearities of the atomically thin monolayer transition metal dichalcogenide material (particularly MoS₂), particularly for those linear and nonlinear transition processes that utilize the bound exciton states. We adopted the bound and the unbound exciton states as the basis for the Hilbert space, and derived all the dynamical density matrices that provides the induced current density, from which the nonlinear susceptibilities can be drawn order-by-order via perturbative calculations. We provide the nonlinear susceptibilities for the linear, the second-harmonic, the third-harmonic, and the kerr-type two-photon processes.

Processing and properties of magnesium containing a dense uniform dispersion of nanoparticles.

Science.gov (United States)

Chen, Lian-Yi; Xu, Jia-Quan; Choi, Hongseok; Pozuelo, Marta; Ma, Xiaolong; Bhowmick, Sanjit; Yang, Jenn-Ming; Mathaudhu, Suveen; Li, Xiao-Chun

2015-12-24

Magnesium is a light metal, with a density two-thirds that of aluminium, is abundant on Earth and is biocompatible; it thus has the potential to improve energy efficiency and system performance in aerospace, automobile, defence, mobile electronics and biomedical applications. However, conventional synthesis and processing methods (alloying and thermomechanical processing) have reached certain limits in further improving the properties of magnesium and other metals. Ceramic particles have been introduced into metal matrices to improve the strength of the metals, but unfortunately, ceramic microparticles severely degrade the plasticity and machinability of metals, and nanoparticles, although they have the potential to improve strength while maintaining or even improving the plasticity of metals, are difficult to disperse uniformly in metal matrices. Here we show that a dense uniform dispersion of silicon carbide nanoparticles (14 per cent by volume) in magnesium can be achieved through a nanoparticle self-stabilization mechanism in molten metal. An enhancement of strength, stiffness, plasticity and high-temperature stability is simultaneously achieved, delivering a higher specific yield strength and higher specific modulus than almost all structural metals.

A thermodynamic perturbation theory for the surface tension and ion density profile of a liquid metal

International Nuclear Information System (INIS)

Evans, R.; Kumaravadivel, R.

1976-01-01

A simple scheme for determining the ion density profile and the surface tension of a liquid metal is described. Assuming that the interaction between metallic pseudo-ions is of the form introduced by Evans, an approximate expression for the excess free energy of the system is derived using the thermodynamic perturbation theory of Weeks, Chandler and Anderson. This excess free energy is then minimized with respect to a parameter which specifies the ion density profile, and the surface tension is given directly. From a consideration of the dependence of the interionic forces on the electron density it is predicted that the ions should take up a very steep density profile at the liquid metal surface. This behaviour is contrasted with that to be expected for rare-gas fluids in which the interatomic forces are density-independent. The values of the surface tension calculated for liquid Na, K and Al from a simplified version of the theory are in reasonable agreement with experiment. (author)

Evaluation of the technical feasibility of new conditioning matrices for long-lived radionuclides

International Nuclear Information System (INIS)

Deschanels, X.

2004-01-01

Several matrices have been selected for the conditioning of long-lived radioactive wastes: a compound made of a iodo-apatite core coated with a densified matrice of vanadium-phosphorus-lead apatite for iodine; the hollandite ceramic for cesium; the britholite, zirconolite, thorium phosphate diphosphate, and the monazite-brabantite solid solution for minor actinides; and a Nb-based metal alloy and phosphate or titanate-type ceramics for technetium. This report presents the results of the researches carried out between 2002-2004 during the technical feasibility step. The main points described are: - the behaviour of matrices under irradiation. These studies were performed thanks to an approach combining the characterization of natural analogues, the doping of matrices with short-lived radionuclides and the use of external irradiations; - the behaviour of these matrices with respect to water alteration; - the sensibility of these structures with respect to the incorporation of chemical impurities; - a package-process approach including the optimization of the process and preliminary studies about the package concept retained. These studies show that important work remains to be done to develop conditioning matrices suitable for iodine and technetium, while for cesium and minor actinides, the first steps of the technical feasibility are made. However, it remains impossible today to determine the structure having the best global behaviour. (J.S.)

Density dependent atomic motion in a liquid alkali metal

International Nuclear Information System (INIS)

Pilgrim, W.-C.; Hosokawa, S.; Morkel, C.

2001-01-01

Inelastic X-ray and neutron scattering results obtained from liquid sodium and rubidium are presented. They cover the entire liquid range between melting and liquid vapour critical point. At high densities the dynamics of the liquid metal is characterized by collective excitations. The corresponding dispersion relations indicate the existence of surprisingly stable next neighbouring shells leading to an increase of the propagation speed for the collective modes. Below 2ρ crit. the dynamics changes from collective to localized indicating the existence of molecular aggregates. This interpretation is in accord with a simple model where the properties of a Rb- and a Rb 2 - lattice are calculated using density functional theory. (orig.)

Higher glandular trichome density in tomato leaflets and repellence to spider mites

International Nuclear Information System (INIS)

Maluf, Wilson Roberto; Inoue, Irene Fumi; Ferreira, Raphael de Paula Duarte; Gomes, Luiz Antonio Augusto; Castro, Evaristo Mauro de; Cardoso, Maria das Gracas

2007-01-01

The objective of this work was to evaluate the feasibility of selection for higher glandular trichome densities, as an indirect criterion of selection for increasing repellence to spider mites Tetranychus urticae, in tomato populations derived from an interspecific cross between Lycopersicon esculentum x L. hirsutum var. glabratum PI 134417. Trichome densities were evaluated in 19 genotypes, including 12 from advanced backcross populations, derived from the original cross L. esculentum x L. hirsutum var. glabratum PI 134417. Counts were made both on the adaxial and abaxial leaf surfaces, and trichomes were classified into glandular types IV and VI, other glandular types (types I+VII), and nonglandular types. Mite repellence was measured by distances walked by mites onto the tomato leaf surface after 20, 40 and 60 min. Spider mite repellence biotests indicated that higher densities of glandular trichomes (especially type VI) decreased the distances walked by the mites onto the tomato leaf surface. Selection of plants with higher densities of glandular trichomes can be an efficient criterion to obtain tomato genotypes with higher resistance (repellence) to spider mites. (author)

HIGH-DENSITY, BIO-COMPATIBLE, AND HERMETIC ELECTRICAL FEEDTHROUGHS USING EXTRUDED METAL VIAS

Energy Technology Data Exchange (ETDEWEB)

Shah, K G; Delima, T; Felix, S; Sheth, H; Tolosa, V; Tooker, A; Pannu, S S

2012-03-28

Implanted medical devices such as pacemakers and neural prosthetics require that the electronic components that power these devices are protected from the harsh chemical and biological environment of the body. Typically, the electronics are hermetically sealed inside a bio-compatible package containing feedthroughs that transmit electrical signals, while being impermeable to particles or moisture. We present a novel approach for fabricating one of the highest densities of biocompatible hermetic feedthroughs in alumina (Al{sub 2}O{sub 3}). Alumina substrates with laser machined vias of 200 {micro}m pitch were conformally metallized and lithographically patterned. Hermetic electrical feedthroughs were formed by extruding metal stud-bumps partially through the vias. Hermeticity testing showed leak rates better than 9 x 10{sup -10} torr-l/s. Based on our preliminary results and process optimization, this extruded metal via approach is a high-density, low temperature, cost-effective, and robust method of miniaturizing electrical feedthroughs for a wide range of implantable bio-medical device applications.

HIGH-DENSITY, BIO-COMPATIBLE, AND HERMETIC ELECTRICAL FEEDTHROUGHS USING EXTRUDED METAL VIAS

Energy Technology Data Exchange (ETDEWEB)

Tooker, A; Shah, K; Tolosa, V; Sheth, H; Felix, S; Delima, T; Pannu, S

2012-03-29

Implanted medical devices such as pacemakers and neural prosthetics require that the electronic components that power these devices are protected from the harsh chemical and biological environment of the body. Typically, the electronics are hermetically sealed inside a bio-compatible package containing feedthroughs that transmit electrical signals, while being impermeable to particles or moisture. We present a novel approach for fabricating one of the highest densities of biocompatible hermetic feedthroughs in alumina (Al{sub 2}O{sub 3}). Alumina substrates with laser machined vias of 200 {mu}m pitch were conformally metallized and lithographically patterned. Hermetic electrical feedthroughs were formed by extruding metal studbumps partially through the vias. Hermeticity testing showed leak rates better than 9x10{sup -10} torr-l/s. Based on our preliminary results and process optimization, this extruded metal via approach is a high-density, low temperature, cost-effective, and robust method of miniaturizing electrical feedthroughs for a wide range of implantable bio-medical device applications.

High density crystalline boron prepared by hot isostatic pressing in refractory metal containers

Science.gov (United States)

Hoenig, C.L.

1993-08-31

Boron powder is hot isostatically pressed in a refractory metal container to produce a solid boron monolith with a bulk density at least 2.22 g/cc and up to or greater than 2.34 g/cc. The refractory metal container is formed of tantalum, niobium, tungsten, molybdenum or alloys thereof in the form of a canister or alternatively plasma sprayed or chemical vapor deposited onto a powder compact. Hot isostatic pressing at 1,800 C and 30 PSI (206.8 MPa) argon pressure for four hours produces a bulk density of 2.34 g/cc. Complex shapes can be made.

Associative Yang-Baxter equation for quantum (semi-)dynamical R-matrices

International Nuclear Information System (INIS)

Sechin, Ivan; Zotov, Andrei

2016-01-01

In this paper we propose versions of the associative Yang-Baxter equation and higher order R-matrix identities which can be applied to quantum dynamical R-matrices. As is known quantum non-dynamical R-matrices of Baxter-Belavin type satisfy this equation. Together with unitarity condition and skew-symmetry it provides the quantum Yang-Baxter equation and a set of identities useful for different applications in integrable systems. The dynamical R-matrices satisfy the Gervais-Neveu-Felder (or dynamical Yang-Baxter) equation. Relation between the dynamical and non-dynamical cases is described by the IRF (interaction-round-a-face)-Vertex transformation. An alternative approach to quantum (semi-)dynamical R-matrices and related quantum algebras was suggested by Arutyunov, Chekhov, and Frolov (ACF) in their study of the quantum Ruijsenaars-Schneider model. The purpose of this paper is twofold. First, we prove that the ACF elliptic R-matrix satisfies the associative Yang-Baxter equation with shifted spectral parameters. Second, we directly prove a simple relation of the IRF-Vertex type between the Baxter-Belavin and the ACF elliptic R-matrices predicted previously by Avan and Rollet. It provides the higher order R-matrix identities and an explanation of the obtained equations through those for non-dynamical R-matrices. As a by-product we also get an interpretation of the intertwining transformation as matrix extension of scalar theta function likewise R-matrix is interpreted as matrix extension of the Kronecker function. Relations to the Gervais-Neveu-Felder equation and identities for the Felder’s elliptic R-matrix are also discussed.

Self-consistent density functional calculation of the image potential at a metal surface

International Nuclear Information System (INIS)

Jung, J; Alvarellos, J E; Chacon, E; GarcIa-Gonzalez, P

2007-01-01

It is well known that the exchange-correlation (XC) potential at a metal surface has an image-like asymptotic behaviour given by -1/4(z-z 0 ), where z is the coordinate perpendicular to the surface. Using a suitable fully non-local functional prescription, we evaluate self-consistently the XC potential with the correct image behaviour for simple jellium surfaces in the range of metallic densities. This allows a proper comparison between the corresponding image-plane position, z 0 , and other related quantities such as the centroid of an induced charge by an external perturbation. As a by-product, we assess the routinely used local density approximation when evaluating electron density profiles, work functions, and surface energies by focusing on the XC effects included in the fully non-local description

Self-consistent density functional calculation of the image potential at a metal surface

Energy Technology Data Exchange (ETDEWEB)

Jung, J [Departamento de Fisica Fundamental, Universidad Nacional de Educacion a Distancia, Apartado 60141, 28080 Madrid (Spain); Alvarellos, J E [Departamento de Fisica Fundamental, Universidad Nacional de Educacion a Distancia, Apartado 60141, 28080 Madrid (Spain); Chacon, E [Instituto de Ciencias de Materiales de Madrid, Consejo Superior de Investigaciones CientIficas, E-28049 Madrid (Spain); GarcIa-Gonzalez, P [Departamento de Fisica Fundamental, Universidad Nacional de Educacion a Distancia, Apartado 60141, 28080 Madrid (Spain)

2007-07-04

It is well known that the exchange-correlation (XC) potential at a metal surface has an image-like asymptotic behaviour given by -1/4(z-z{sub 0}), where z is the coordinate perpendicular to the surface. Using a suitable fully non-local functional prescription, we evaluate self-consistently the XC potential with the correct image behaviour for simple jellium surfaces in the range of metallic densities. This allows a proper comparison between the corresponding image-plane position, z{sub 0}, and other related quantities such as the centroid of an induced charge by an external perturbation. As a by-product, we assess the routinely used local density approximation when evaluating electron density profiles, work functions, and surface energies by focusing on the XC effects included in the fully non-local description.

Infinite matrices and sequence spaces

CERN Document Server

Cooke, Richard G

2014-01-01

This clear and correct summation of basic results from a specialized field focuses on the behavior of infinite matrices in general, rather than on properties of special matrices. Three introductory chapters guide students to the manipulation of infinite matrices, covering definitions and preliminary ideas, reciprocals of infinite matrices, and linear equations involving infinite matrices.From the fourth chapter onward, the author treats the application of infinite matrices to the summability of divergent sequences and series from various points of view. Topics include consistency, mutual consi

Complex Wedge-Shaped Matrices: A Generalization of Jacobi Matrices

Czech Academy of Sciences Publication Activity Database

Hnětynková, Iveta; Plešinger, M.

2015-01-01

Roč. 487, 15 December (2015), s. 203-219 ISSN 0024-3795 R&D Projects: GA ČR GA13-06684S Keywords : eigenvalues * eigenvector * wedge-shaped matrices * generalized Jacobi matrices * band (or block) Krylov subspace methods Subject RIV: BA - General Mathematics Impact factor: 0.965, year: 2015

Fluorocarbon seal replaces metal piston ring in low density gas environment

Science.gov (United States)

Morath, W. D.; Morgan, N. E.

1967-01-01

Reinforced fluorocarbon cupseal, which provides an integral lip-type seal, replaces the metal piston rings in piston-cylinder configurations used in the compression of low density gases. The fluorocarbon seal may be used as cryogenic compressor piston seals.

Formation energies of rutile metal dioxides using density functional theory

DEFF Research Database (Denmark)

Martinez, Jose Ignacio; Hansen, Heine Anton; Rossmeisl, Jan

2009-01-01

We apply standard density functional theory at the generalized gradient approximation (GGA) level to study the stability of rutile metal oxides. It is well known that standard GGA exchange and correlation in some cases is not sufficient to address reduction and oxidation reactions. Especially...... and due to a more accurate description of exchange for this particular GGA functional compared to PBE. Furthermore, we would expect the self-interaction problem to be largest for the most localized d orbitals; that means the late 3d metals and since Co, Fe, Ni, and Cu do not form rutile oxides...

Higher derivative corrections to incoherent metallic transport in holography

Energy Technology Data Exchange (ETDEWEB)

Baggioli, Matteo [Institut de Física d’Altes Energies (IFAE), Universitat Autónoma de Barcelona,The Barcelona Institute of Science and Technology,Campus UAB, 08193 Bellaterra (Barcelona) (Spain); Crete Center for Theoretical Physics and I.P.P., Department of Physics, University of Crete,71003 Heraklion (Greece); Goutéraux, Blaise [Nordita, KTH Royal Institute of Technology and Stockholm University,Roslagstullsbacken 23, SE-106 91 Stockholm (Sweden); Stanford Institute for Theoretical Physics, Department of Physics, Stanford University,Varian Laboratory of Physics, 382 Via Pueblo Mall, Stanford, CA 94305-4060 (United States); APC, Université Paris 7, CNRS/IN2P3, CEA/IRFU, Obs. de Paris,Sorbonne Paris Cité (UMR du CNRS 7164),Bâtiment Condorcet, 10, rue Alice Domon et Léonie Duquet, F-75205, Paris Cedex 13 (France); Kiritsis, Elias [APC, Université Paris 7, CNRS/IN2P3, CEA/IRFU, Obs. de Paris,Sorbonne Paris Cité (UMR du CNRS 7164),Bâtiment Condorcet, 10, rue Alice Domon et Léonie Duquet, F-75205, Paris Cedex 13 (France); Crete Center for Theoretical Physics and I.P.P., Department of Physics, University of Crete,71003 Heraklion (Greece); Crete Center for Quantum Complexity and Nanotechnology, University of Crete,71003 Heraklion (Greece); Li, Wei-Jia [Institute of Theoretical Physics, School of Physics and Optoelectronic Technology,Dalian University of Technology, 214 School of Physics,2 Linggong road, Ganjingzi District, Dalian 116024, Liaoning Province (China); Crete Center for Theoretical Physics and I.P.P., Department of Physics, University of Crete,71003 Heraklion (Greece)

2017-03-31

Transport in strongly-disordered, metallic systems is governed by diffusive processes. Based on quantum mechanics, it has been conjectured that these diffusivities obey a lower bound D/v{sup 2}≳ℏ/k{sub B}T, the saturation of which provides a mechanism for the T-linear resistivity of bad metals. This bound features a characteristic velocity v, which was later argued to be the butterfly velocity v{sub B}, based on holographic models of transport. This establishes a link between incoherent metallic transport, quantum chaos and Planckian timescales. Here we study higher derivative corrections to an effective holographic action of homogeneous disorder. The higher derivative terms involve only the charge and translation symmetry breaking sector. We show that they have a strong impact on the bound on charge diffusion D{sub c}/v{sub B}{sup 2}≳ℏ/k{sub B}T, by potentially making the coefficient of its right-hand side arbitrarily small. On the other hand, the bound on energy diffusion is not affected.

Density dependence of the diffusion coefficient of alkali metals

International Nuclear Information System (INIS)

Adebayo, G.A.; Anusionwu, B.C.; Njah, A.N.; Mathew, B.; Fabamise, O.A.T.

2004-06-01

The effect of density on transport coefficients of liquid Li, Na and K at high temperatures using the method of Molecular Dynamics simulation has been studied. Simulation of these liquid alkali metals were carried out with 800 particles in simulation boxes with periodic boundary conditions imposed. In order to test the reliability of the interatomic potential used in the calculations, experimental data on the structural properties were compared with calculated results. The calculations showed a linear relationship between the density and the diffusion coefficient in all the systems investigated except in lithium, where, due to the small size of the atom, standard molecular dynamics simulation method may not be appropriate for calculating the properties of interest. (author)

On reflectionless equi-transmitting matrices

Directory of Open Access Journals (Sweden)

Pavel Kurasov

2014-01-01

Full Text Available Reflectionless equi-transmitting unitary matrices are studied in connection to matching conditions in quantum graphs. All possible such matrices of size 6 are described explicitly. It is shown that such matrices form 30 six-parameter families intersected along 12 five-parameter families closely connected to conference matrices.

Stopping power of degenerate electron liquid at metallic densities

International Nuclear Information System (INIS)

Tanaka, Shigenori; Ichimaru, Setsuo

1985-01-01

We calculate the stopping power of the degenerate electron liquid at metallic densities in the dielectric formalism. The strong Coulomb-coupling effects beyond the random-phase approximation are taken into account through the static and dynamic local-field corrections. It is shown that those strong-coupling and dynamic effects act to enhance the stopping power substantially in the low-velocity regime, leading to an improved agreement with experimental data. (author)

Embedding methods of solidified waste in metal matrices

International Nuclear Information System (INIS)

Neumann, W.

1979-01-01

The embedding of simulated waste calcines by three different methods (vacuum-pressure casting, centrifugal casting, and metal stirred with the calcines) was investigated. The experimental performance is described and advantages and disadvantages noted. The feasibility of embedding fines by stirring in metal was shown. In addition, an estimation of the influence of porosity on the properties of composites was carried out

Metal-Ligand Bonds of Second- and Third-Row d-Block Metals Characterized by Density Functional Theory

DEFF Research Database (Denmark)

Kepp, Kasper Planeta

2009-01-01

This paper presents systematic data for 200 neutral diatomic molecules ML (M is it second- or third-row d-block metal and L = H, F, Cl, Br, I, C, N, O, S, or Se) Computed with the density functionals TPSSh and BP86. With experimental Structures and bond enthalpies available for many of these mole...

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.

CIGS cells with metallized front contact: Longer cells and higher efficiency

NARCIS (Netherlands)

Deelen, J. van; Frijters, C.

2017-01-01

We have investigated the benefit of a patterned metallization on top of a transparent conductive oxide in CIGS thin-film solar panels. It was found that cells with a grid have a higher efficiency compared to cells with only a TCO. This was observed for all cell lengths used. Furthermore, metallic

Full charge-density calculation of the surface energy of metals

DEFF Research Database (Denmark)

Vitos, Levente; Kollár, J..; Skriver, Hans Lomholt

1994-01-01

of a spherically symmetrized charge density, while the Coulomb and exchange-correlation contributions are calculated by means of the complete, nonspherically symmetric charge density within nonoverlapping, space-filling Wigner-Seitz cells. The functional is used to assess the convergence and the accuracy......We have calculated the surface energy and the work function of the 4d metals by means of an energy functional based on a self-consistent, spherically symmetric atomic-sphere potential. In this approach the kinetic energy is calculated completely within the atomic-sphere approximation (ASA) by means...... of the linear-muffin-tin-orbitals (LMTO) method and the ASA in surface calculations. We find that the full charge-density functional improves the agreement with recent full-potential LMTO calculations to a level where the average deviation in surface energy over the 4d series is down to 10%....

Pseudoclassical approach to electron and ion density correlations in simple liquid metals

International Nuclear Information System (INIS)

Vericat, F.; Tosi, M.P.; Pastore, G.

1986-04-01

Electron-electron and electron-ion structural correlations in simple liquid metals are treated by using effective pair potentials to incorporate quantal effects into a pseudoclassical description of the electron fluid. An effective pair potential between simultaneous electron density fluctuations is first constructed from known properties of the degenerate jellium model, which are the plasmon sum rule, the Kimball-Niklasson relation and Yasuhara's values of the electron pair distribution function at contact. An analytic expression is thereby obtained in the Debye-Hueckel approximation for the electronic structure factor in jellium over a range of density appropriate to metals, with results which compare favourably with those of fully quantal evaluations. A simple pseudoclassical model is then set up for a liquid metal: this involves a model of charged hard spheres for the ion-ion potential and an empty core model for the electron-ion potential, the Coulombic tails being scaled as required by the relation between the long-wavelength partial structure factors and the isothermal compressibility of the metal. The model is solved analytically by a pseudoclassical linear response treatment of the electron-ion coupling and numerical results are reported for partial structure factors in liquid sodium and liquid beryllium. Contact is made for the latter system with data on the electron-electron structure factor in the crystal from inelastic X-ray scattering experiments of Eisenberger, Marra and Brown. (author)

Sparse random matrices: The eigenvalue spectrum revisited

International Nuclear Information System (INIS)

Semerjian, Guilhem; Cugliandolo, Leticia F.

2003-08-01

We revisit the derivation of the density of states of sparse random matrices. We derive a recursion relation that allows one to compute the spectrum of the matrix of incidence for finite trees that determines completely the low concentration limit. Using the iterative scheme introduced by Biroli and Monasson [J. Phys. A 32, L255 (1999)] we find an approximate expression for the density of states expected to hold exactly in the opposite limit of large but finite concentration. The combination of the two methods yields a very simple geometric interpretation of the tails of the spectrum. We test the analytic results with numerical simulations and we suggest an indirect numerical method to explore the tails of the spectrum. (author)

Behavior of Lithium Metal Anodes under Various Capacity Utilization and High Current Density in Lithium Metal Batteries

International Nuclear Information System (INIS)

Jiao, Shuhong; University of Science and Technology of China, Hefei; Zheng, Jianming; Li, Qiuyan; Li, Xing

2017-01-01

We report that lithium (Li) metal batteries (LMBs) have recently attracted extensive interest in the energy-storage field after silence from the public view for several decades. However, many challenges still need to be overcome before their practical application, especially those that are related to the interfacial instability of Li metal anodes. Here, we reveal for the first time that the thickness of the degradation layer on the metallic Li anode surface shows a linear relationship with Li areal capacity utilization up to 4.0 mAh cm -2 in a practical LMB system. The increase in Li capacity utilization in each cycle causes variations in the morphology and composition of the degradation layer on the Li anode. Under high Li capacity utilization, the current density for charge (i.e., Li deposition) is identified to be a key factor controlling the corrosion of the Li metal anode. Lastly, these fundamental findings provide new perspectives for the development of rechargeable LMBs.

Fungible Correlation Matrices: A Method for Generating Nonsingular, Singular, and Improper Correlation Matrices for Monte Carlo Research.

Science.gov (United States)

Waller, Niels G

2016-01-01

For a fixed set of standardized regression coefficients and a fixed coefficient of determination (R-squared), an infinite number of predictor correlation matrices will satisfy the implied quadratic form. I call such matrices fungible correlation matrices. In this article, I describe an algorithm for generating positive definite (PD), positive semidefinite (PSD), or indefinite (ID) fungible correlation matrices that have a random or fixed smallest eigenvalue. The underlying equations of this algorithm are reviewed from both algebraic and geometric perspectives. Two simulation studies illustrate that fungible correlation matrices can be profitably used in Monte Carlo research. The first study uses PD fungible correlation matrices to compare penalized regression algorithms. The second study uses ID fungible correlation matrices to compare matrix-smoothing algorithms. R code for generating fungible correlation matrices is presented in the supplemental materials.

Large deviations of the maximum eigenvalue in Wishart random matrices

International Nuclear Information System (INIS)

Vivo, Pierpaolo; Majumdar, Satya N; Bohigas, Oriol

2007-01-01

We analytically compute the probability of large fluctuations to the left of the mean of the largest eigenvalue in the Wishart (Laguerre) ensemble of positive definite random matrices. We show that the probability that all the eigenvalues of a (N x N) Wishart matrix W = X T X (where X is a rectangular M x N matrix with independent Gaussian entries) are smaller than the mean value (λ) = N/c decreases for large N as ∼exp[-β/2 N 2 Φ - (2√c + 1: c)], where β = 1, 2 corresponds respectively to real and complex Wishart matrices, c = N/M ≤ 1 and Φ - (x; c) is a rate (sometimes also called large deviation) function that we compute explicitly. The result for the anti-Wishart case (M < N) simply follows by exchanging M and N. We also analytically determine the average spectral density of an ensemble of Wishart matrices whose eigenvalues are constrained to be smaller than a fixed barrier. Numerical simulations are in excellent agreement with the analytical predictions

Large deviations of the maximum eigenvalue in Wishart random matrices

Energy Technology Data Exchange (ETDEWEB)

Vivo, Pierpaolo [School of Information Systems, Computing and Mathematics, Brunel University, Uxbridge, Middlesex, UB8 3PH (United Kingdom) ; Majumdar, Satya N [Laboratoire de Physique Theorique et Modeles Statistiques (UMR 8626 du CNRS), Universite Paris-Sud, Batiment 100, 91405 Orsay Cedex (France); Bohigas, Oriol [Laboratoire de Physique Theorique et Modeles Statistiques (UMR 8626 du CNRS), Universite Paris-Sud, Batiment 100, 91405 Orsay Cedex (France)

2007-04-20

We analytically compute the probability of large fluctuations to the left of the mean of the largest eigenvalue in the Wishart (Laguerre) ensemble of positive definite random matrices. We show that the probability that all the eigenvalues of a (N x N) Wishart matrix W = X{sup T}X (where X is a rectangular M x N matrix with independent Gaussian entries) are smaller than the mean value ({lambda}) = N/c decreases for large N as {approx}exp[-{beta}/2 N{sup 2}{phi}{sub -} (2{radical}c + 1: c)], where {beta} = 1, 2 corresponds respectively to real and complex Wishart matrices, c = N/M {<=} 1 and {phi}{sub -}(x; c) is a rate (sometimes also called large deviation) function that we compute explicitly. The result for the anti-Wishart case (M < N) simply follows by exchanging M and N. We also analytically determine the average spectral density of an ensemble of Wishart matrices whose eigenvalues are constrained to be smaller than a fixed barrier. Numerical simulations are in excellent agreement with the analytical predictions.

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.

Decorin-transforming growth factor- interaction regulates matrix organization and mechanical characteristics of three-dimensional collagen matrices.

Science.gov (United States)

Ferdous, Zannatul; Wei, Victoria Mariko; Iozzo, Renato; Höök, Magnus; Grande-Allen, Kathryn Jane

2007-12-07

The small leucine-rich proteoglycan decorin has been demonstrated to be a key regulator of collagen fibrillogenesis; decorin deficiencies lead to irregularly shaped collagen fibrils and weakened material behavior in postnatal murine connective tissues. In an in vitro investigation of the contributions of decorin to tissue organization and material behavior, model tissues were engineered by seeding embryonic fibroblasts, harvested from 12.5-13.5 days gestational aged decorin null (Dcn(-/-)) or wild-type mice, within type I collagen gels. The resulting three-dimensional collagen matrices were cultured for 4 weeks under static tension. The collagen matrices seeded with Dcn(-/-) cells exhibited greater contraction, cell density, ultimate tensile strength, and elastic modulus than those seeded with wild-type cells. Ultrastructurally, the matrices seeded with Dcn(-/-) cells contained a greater density of collagen. The decorin-null tissues contained more biglycan than control tissues, suggesting that this related proteoglycan compensated for the absence of decorin. The effect of transforming growth factor-beta (TGF-beta), which is normally sequestered by decorin, was also investigated in this study. The addition of TGF-beta1 to the matrices seeded with wild-type cells improved their contraction and mechanical strength, whereas blocking TGF-beta1 in the Dcn(-/-) cell-seeded matrices significantly reduced the collagen gel contraction. These results indicate that the inhibitory interaction between decorin and TGF-beta1 significantly influenced the matrix organization and material behavior of these in vitro model tissues.

Double stochastic matrices in quantum mechanics

International Nuclear Information System (INIS)

Louck, J.D.

1997-01-01

The general set of doubly stochastic matrices of order n corresponding to ordinary nonrelativistic quantum mechanical transition probability matrices is given. Lande's discussion of the nonquantal origin of such matrices is noted. Several concrete examples are presented for elementary and composite angular momentum systems with the focus on the unitary symmetry associated with such systems in the spirit of the recent work of Bohr and Ulfbeck. Birkhoff's theorem on doubly stochastic matrices of order n is reformulated in a geometrical language suitable for application to the subset of quantum mechanical doubly stochastic matrices. Specifically, it is shown that the set of points on the unit sphere in cartesian n'-space is subjective with the set of doubly stochastic matrices of order n. The question is raised, but not answered, as to what is the subset of points of this unit sphere that correspond to the quantum mechanical transition probability matrices, and what is the symmetry group of this subset of matrices

Characteristics of phosphorus adsorption by sediment mineral matrices with different particle sizes

Directory of Open Access Journals (Sweden)

Yang Xiao

2013-07-01

Full Text Available The particle size of sediment is one of the main factors that influence the phosphorus physical adsorption on sediment. In order to eliminate the effect of other components of sediment on the phosphorus physical adsorption the sediment mineral matrices were obtained by removing inorganic matter metal oxides, and organic matter from natural sediments, which were collected from the Nantong reach of the Yangtze River. The results show that an exponential relationship exists between the median particle size (D50 and specific surface area (Sg of the sediment mineral matrices, and the fine sediment mineral matrix sample has a larger specific surface area and pore volume than the coarse sediment particles. The kinetic equations were used to describe the phosphorus adsorption process of the sediment mineral matrices, including the Elovich equation, quasi-first-order adsorption kinetic equation, and quasi-second-order adsorption kinetic equation. The results show that the quasi-second-order adsorption kinetic equation has the best fitting effect. Using the mass conservation and Langmuir adsorption kinetic equations, a formula was deduced to calculate the equilibrium adsorption capacity of the sediment mineral matrices. The results of this study show that the phosphorus adsorption capacity decreases with the increase of D50, indicating that the specific surface area and pore volume are the main factors in determining the phosphorus adsorption capacity of the sediment mineral matrices. This study will help understand the important role of sediment in the transformation of phosphorus in aquatic environments.

Deterministic matrices matching the compressed sensing phase transitions of Gaussian random matrices

Science.gov (United States)

Monajemi, Hatef; Jafarpour, Sina; Gavish, Matan; Donoho, David L.; Ambikasaran, Sivaram; Bacallado, Sergio; Bharadia, Dinesh; Chen, Yuxin; Choi, Young; Chowdhury, Mainak; Chowdhury, Soham; Damle, Anil; Fithian, Will; Goetz, Georges; Grosenick, Logan; Gross, Sam; Hills, Gage; Hornstein, Michael; Lakkam, Milinda; Lee, Jason; Li, Jian; Liu, Linxi; Sing-Long, Carlos; Marx, Mike; Mittal, Akshay; Monajemi, Hatef; No, Albert; Omrani, Reza; Pekelis, Leonid; Qin, Junjie; Raines, Kevin; Ryu, Ernest; Saxe, Andrew; Shi, Dai; Siilats, Keith; Strauss, David; Tang, Gary; Wang, Chaojun; Zhou, Zoey; Zhu, Zhen

2013-01-01

In compressed sensing, one takes samples of an N-dimensional vector using an matrix A, obtaining undersampled measurements . For random matrices with independent standard Gaussian entries, it is known that, when is k-sparse, there is a precisely determined phase transition: for a certain region in the (,)-phase diagram, convex optimization typically finds the sparsest solution, whereas outside that region, it typically fails. It has been shown empirically that the same property—with the same phase transition location—holds for a wide range of non-Gaussian random matrix ensembles. We report extensive experiments showing that the Gaussian phase transition also describes numerous deterministic matrices, including Spikes and Sines, Spikes and Noiselets, Paley Frames, Delsarte-Goethals Frames, Chirp Sensing Matrices, and Grassmannian Frames. Namely, for each of these deterministic matrices in turn, for a typical k-sparse object, we observe that convex optimization is successful over a region of the phase diagram that coincides with the region known for Gaussian random matrices. Our experiments considered coefficients constrained to for four different sets , and the results establish our finding for each of the four associated phase transitions. PMID:23277588

Metal ion attachment to the matrix meso-tetrakis(pentafluorophenyl)porphyrin, related matrices and analytes: an experimental and theoretical study.

Science.gov (United States)

van Kampen, Jeroen J A; Luider, Theo M; Ruttink, Paul J A; Burgers, Peter C

2009-11-01

In a previous study [van Kampen et al. Analytical Chemistry 2006; 78: 5403], we found that meso-tetrakis (pentafluorophenyl)porphyrin (F20TPP), in combination with lithium salts, provides an efficient matrix to cationize small molecules by Li+ attachment and that this combination can be successfully applied to the quantitative analysis of drugs, such as antiretroviral compounds using matrix-assisted laser desorption ionization in conjunction with a time-of-flight analyzer (MALDI-TOF). In the present study, we further explore the mechanism of metal ion attachment to F20TPP and analytes by MALDI-FTMS(/MS). To this end, we have studied the interaction of F20TPP and analytes with various mono-, di- and trivalent metal ions (Li+, Na+, K+, Rb+, Cs+, Co2+, Cu2+, Zn2+, Fe2+, Fe3+ and Ga3+). For the alkali cations, we find that F20TPP forms complexes only with Li+ and Na+; in addition, model analyte molecules such as poly(ethyleneglycol)s, mixed with F20TPP and the alkali cations, also only form Li+ and Na+ adducts. This contrasts sharply with the commonly used matrix 2,5-dihydroxybenzoic acid, where analytes are most efficiently cationized by Na+ or K+. Reasons for this difference are delineated. Ab initio calculations on porphyrin itself reveal that even the smallest alkali cation, Li+, does not fit in the porphyrin cavity, but lies on top of it, pushing the 21H and 23 H hydrogen atoms out of and below the plane with concomitant bending of the porphyrin skeleton in the opposite direction, i.e. toward the cation. Thus, the Li+ ion is not effectively sequestered and is in fact exposed and thus accessible for donation to analyte molecules. Interaction of F20TPP with di- and trivalent metal ions leads to protoporphyrin-metal ions, where the metal ion is captured within the protoporphyrin dianion cavity. The most intense signal is obtained when F20TPP is reacted with CuCl2 and then subjected to laser ablation. This method presents an easy general route to study the metal

Structural properties of low-density liquid alkali metals

Indian Academy of Sciences (India)

The static structure factors of liquid alkali metals have been modelled at temperatures close to their melting points and a few higher temperatures using the reverse Monte Carlo (RMC) method. The positions of 5000 atoms in a box, with full periodicity, were altered until the experimental diffraction data of the structure factor ...

Matrices and linear transformations

CERN Document Server

Cullen, Charles G

1990-01-01

""Comprehensive . . . an excellent introduction to the subject."" - Electronic Engineer's Design Magazine.This introductory textbook, aimed at sophomore- and junior-level undergraduates in mathematics, engineering, and the physical sciences, offers a smooth, in-depth treatment of linear algebra and matrix theory. The major objects of study are matrices over an arbitrary field. Contents include Matrices and Linear Systems; Vector Spaces; Determinants; Linear Transformations; Similarity: Part I and Part II; Polynomials and Polynomial Matrices; Matrix Analysis; and Numerical Methods. The first

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

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

Spherical electron momentum density distribution and Bayesian analysis of the renormalization parameter in Li metal

International Nuclear Information System (INIS)

Dobrzynski, Ludwik

2000-01-01

The Bayesian analysis of the spherical part of the electron momentum density was carried out with the goal of finding the best estimation of the spherically averaged renormalization parameter, z , quantifying the discontinuity in the electron momentum density distribution in Li metal. Three models parametrizing the electron momentum density were considered and nuisance parameters integrated out. The analysis show that the most likely value of z following from the data of Sakurai et al is in the range of 0.45-0.50, while 0.55 is obtained for the data of Schuelke et al . In the maximum entropy reconstruction of the spherical part of the electron momentum density three different algorithms were used. It is shown that all of them produce essentially the same results. The paper shows that the accurate Compton scattering experiments are capable of bringing information on this very important Fermiological aspect of the electron gas in a metal. (author)

Lambda-matrices and vibrating systems

CERN Document Server

Lancaster, Peter; Stark, M; Kahane, J P

1966-01-01

Lambda-Matrices and Vibrating Systems presents aspects and solutions to problems concerned with linear vibrating systems with a finite degrees of freedom and the theory of matrices. The book discusses some parts of the theory of matrices that will account for the solutions of the problems. The text starts with an outline of matrix theory, and some theorems are proved. The Jordan canonical form is also applied to understand the structure of square matrices. Classical theorems are discussed further by applying the Jordan canonical form, the Rayleigh quotient, and simple matrix pencils with late

Inductively coupled plasma--atomic emission spectrometry: trace elements in oil matrices

Energy Technology Data Exchange (ETDEWEB)

Peterson, Charlie Albert [Iowa State Univ., Ames, IA (United States)

1977-12-01

The simultaneous determination of up to 20 trace elements in various oil matrices by inductively coupled plasma-atomic emission spectrometry is reported. The oil matrices investigated were lubricating oils (for wear metals), fuel oil, centrifuged coal liquefaction product, crude soybean oil, and commercial edible oils. The samples were diluted with appropriate organic solvents and injected into the plasma as an aerosol generated by a pneumatic nebulization technique. Detection limits of the 28 elements studied ranged from 0.0006 to 9 μg/g with the majority falling in the 0.01 to 0.1 μg/g range. Analytical calibration curves were linear over at least two orders of magnitude and for some elements this linearity extended over 4.5 orders of magnitude. Relevant data on precision and accuracy are included. Because metals often occur as particles in lubricating oil and coal liquefaction products, the effect of particles on the analytical results was examined. Wear metal particles in used oil did not appear to affect the analytical results. However, incomplete recovery relative to organometallic reference solutions was obtained for iron particles with a nominal mean diameter of 3.0 μm suspended in oil. It was shown that the following factors contributed to incomplete recovery for the particles: settling of the suspended particles in the flask, a difference in nebulization efficiency between particle suspensions and organometallic solutions, and indications of incomplete vaporization of the larger particles in the plasma.

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.

Manin matrices and Talalaev's formula

International Nuclear Information System (INIS)

Chervov, A; Falqui, G

2008-01-01

In this paper we study properties of Lax and transfer matrices associated with quantum integrable systems. Our point of view stems from the fact that their elements satisfy special commutation properties, considered by Yu I Manin some 20 years ago at the beginning of quantum group theory. These are the commutation properties of matrix elements of linear homomorphisms between polynomial rings; more explicitly these read: (1) elements of the same column commute; (2) commutators of the cross terms are equal: [M ij , M kl ] [M kj , M il ] (e.g. [M 11 , M 22 ] = [M 21 , M 12 ]). The main aim of this paper is twofold: on the one hand we observe and prove that such matrices (which we call Manin matrices in short) behave almost as well as matrices with commutative elements. Namely, the theorems of linear algebra (e.g., a natural definition of the determinant, the Cayley-Hamilton theorem, the Newton identities and so on and so forth) have a straightforward counterpart in the case of Manin matrices. On the other hand, we remark that such matrices are somewhat ubiquitous in the theory of quantum integrability. For instance, Manin matrices (and their q-analogs) include matrices satisfying the Yang-Baxter relation 'RTT=TTR' and the so-called Cartier-Foata matrices. Also, they enter Talalaev's remarkable formulae: det(∂ z -L gaudin (z)), det(1-e -∂z T Yangian (z)) for the 'quantum spectral curve', and appear in the separation of variables problem and Capelli identities. We show that theorems of linear algebra, after being established for such matrices, have various applications to quantum integrable systems and Lie algebras, e.g. in the construction of new generators in Z(U crit (gl-hat n )) (and, in general, in the construction of quantum conservation laws), in the Knizhnik-Zamolodchikov equation, and in the problem of Wick ordering. We propose, in the appendix, a construction of quantum separated variables for the XXX-Heisenberg system

Development of Low Density CaMg-A1-Based Bulk Metallic Glasses (Preprint)

National Research Council Canada - National Science Library

Senkov, O. N; Scott, J. M; Miracle, D. B

2006-01-01

Low density Ca-Mg-Al-based bulk metallic glasses containing additionally Cu and Zn, were produced by a copper mold casting method as wedge-shaped samples with thicknesses varying from 0.5 mm to 10 rom...

Introduction into Hierarchical Matrices

KAUST Repository

Litvinenko, Alexander

2013-01-01

Hierarchical matrices allow us to reduce computational storage and cost from cubic to almost linear. This technique can be applied for solving PDEs, integral equations, matrix equations and approximation of large covariance and precision matrices.

Introduction into Hierarchical Matrices

KAUST Repository

Litvinenko, Alexander

2013-12-05

Hierarchical matrices allow us to reduce computational storage and cost from cubic to almost linear. This technique can be applied for solving PDEs, integral equations, matrix equations and approximation of large covariance and precision matrices.

MERSENNE AND HADAMARD MATRICES CALCULATION BY SCARPIS METHOD

Directory of Open Access Journals (Sweden)

N. A. Balonin

2014-05-01

Full Text Available Purpose. The paper deals with the problem of basic generalizations of Hadamard matrices associated with maximum determinant matrices or not optimal by determinant matrices with orthogonal columns (weighing matrices, Mersenne and Euler matrices, ets.; calculation methods for the quasi-orthogonal local maximum determinant Mersenne matrices are not studied enough sufficiently. The goal of this paper is to develop the theory of Mersenne and Hadamard matrices on the base of generalized Scarpis method research. Methods. Extreme solutions are found in general by minimization of maximum for absolute values of the elements of studied matrices followed by their subsequent classification according to the quantity of levels and their values depending on orders. Less universal but more effective methods are based on structural invariants of quasi-orthogonal matrices (Silvester, Paley, Scarpis methods, ets.. Results. Generalizations of Hadamard and Belevitch matrices as a family of quasi-orthogonal matrices of odd orders are observed; they include, in particular, two-level Mersenne matrices. Definitions of section and layer on the set of generalized matrices are proposed. Calculation algorithms for matrices of adjacent layers and sections by matrices of lower orders are described. Approximation examples of the Belevitch matrix structures up to 22-nd critical order by Mersenne matrix of the third order are given. New formulation of the modified Scarpis method to approximate Hadamard matrices of high orders by lower order Mersenne matrices is proposed. Williamson method is described by example of one modular level matrices approximation by matrices with a small number of levels. Practical relevance. The efficiency of developing direction for the band-pass filters creation is justified. Algorithms for Mersenne matrices design by Scarpis method are used in developing software of the research program complex. Mersenne filters are based on the suboptimal by

Time-dependent quantum many-body systems. Linear response, electronic transport, and reduced density matrices

International Nuclear Information System (INIS)

Appel, H.

2007-05-01

In part I of this work we present a double-pole approximation (DPA) to the response equations of time-dependent density functional theory (TDDFT). The double-pole approximation provides an exact description of systems with two strongly coupled excitations which are isolated from the rest of the spectrum. In contrast to the traditional single-pole approximation of TDDFT the DPA also yields corrections to the Kohn-Sham oscillator strengths. We also demonstrate how to invert the double-pole solution which allows us to predict matrix elements of the exchange-correlation kernel f xc from experimental input. We attempt some first steps towards a time-dependent generalization of reduced density matrix functional theory (RDMFT). In part II we derive equations of motion for natural orbitals and occupation numbers. Using the equation of motion for the occupation numbers we show that an adiabatic extension of presently known ground-state functionals of static RDMFT always leads to occupation numbers which are constant in time. From the stationary conditions of the equations of motion for the N-body correlations (correlated parts of the N-body matrices) we derive a new class of ground-state functionals which can be used in static RDMFT. Applications are presented for a one-dimensional model system where the time-dependent many-body Schroedinger equation can be propagated numerically. We use optimal control theory to find optimized laser pulses for transitions in a model for atomic Helium. From the numerically exact correlated wavefunction we extract the exact time evolution of natural orbitals and occupation numbers for (i) laser-driven Helium and (ii) electron-ion scattering. Part III of this work considers time-dependent quantum transport within TDDFT. We present an algorithm for the calculation of extended eigenstates of single-particle Hamiltonians which is especially tailored to a finite-difference discretization of the Schroedinger equation. We consider the propagation

Time-dependent quantum many-body systems. Linear response, electronic transport, and reduced density matrices

Energy Technology Data Exchange (ETDEWEB)

Appel, H.

2007-05-15

In part I of this work we present a double-pole approximation (DPA) to the response equations of time-dependent density functional theory (TDDFT). The double-pole approximation provides an exact description of systems with two strongly coupled excitations which are isolated from the rest of the spectrum. In contrast to the traditional single-pole approximation of TDDFT the DPA also yields corrections to the Kohn-Sham oscillator strengths. We also demonstrate how to invert the double-pole solution which allows us to predict matrix elements of the exchange-correlation kernel f{sub xc} from experimental input. We attempt some first steps towards a time-dependent generalization of reduced density matrix functional theory (RDMFT). In part II we derive equations of motion for natural orbitals and occupation numbers. Using the equation of motion for the occupation numbers we show that an adiabatic extension of presently known ground-state functionals of static RDMFT always leads to occupation numbers which are constant in time. From the stationary conditions of the equations of motion for the N-body correlations (correlated parts of the N-body matrices) we derive a new class of ground-state functionals which can be used in static RDMFT. Applications are presented for a one-dimensional model system where the time-dependent many-body Schroedinger equation can be propagated numerically. We use optimal control theory to find optimized laser pulses for transitions in a model for atomic Helium. From the numerically exact correlated wavefunction we extract the exact time evolution of natural orbitals and occupation numbers for (i) laser-driven Helium and (ii) electron-ion scattering. Part III of this work considers time-dependent quantum transport within TDDFT. We present an algorithm for the calculation of extended eigenstates of single-particle Hamiltonians which is especially tailored to a finite-difference discretization of the Schroedinger equation. We consider the

Ultrahigh capacitance density for multiple ALD-grown MIM capacitor stacks in 3-D silicon

NARCIS (Netherlands)

Klootwijk, J.H.; Jinesh, K.B.; Dekkers, W.; Verhoeven, J.F.C.; Heuvel, van den F.C.; Kim, H.-D.; Blin, D.; Verheijen, M.A.; Weemaes, R.G.R.; Kaiser, M.; Ruigrok, J.J.M.; Roozeboom, F.

2008-01-01

"Trench" capacitors containing multiple metal-insulator-metal (MIM) layer stacks are realized by atomic-layer deposition (ALD), yielding an ultrahigh capacitance density of 440 nF/mm2 at a breakdown voltage VBD > 6 V. This capacitance density on silicon is at least 10 times higher than the values

Metal recovery by microbial electro-metallurgy

NARCIS (Netherlands)

Dominguez-Benetton, Xochitl; Varia, Jeet Chandrakant; Pozo, Guillermo; Modin, Oskar; Heijne, Ter Annemiek; Fransaer, Jan; Rabaey, Korneel

2018-01-01

Raw metals are fundamental to the global economy as they are essential to maintain the quality of our life as well as industrial performance. A number of metal-bearing aqueous matrices are appealing as alternative supplies to conventional mining, like solid industrial and urban waste leachates,

Layered Metal Nanoparticle Structures on Electrodes for Sensing, Switchable Controlled Uptake/Release, and Photo-electrochemical Applications.

Science.gov (United States)

Tel-Vered, Ran; Kahn, Jason S; Willner, Itamar

2016-01-06

Layered metal nanoparticle (NP) assemblies provide highly porous and conductive composites of unique electrical and optical (plasmonic) properties. Two methods to construct layered metal NP matrices are described, and these include the layer-by-layer deposition of NPs, or the electropolymerization of monolayer-functionalized NPs, specifically thioaniline-modified metal NPs. The layered NP composites are used as sensing matrices through the use of electrochemistry or surface plasmon resonance (SPR) as transduction signals. The crosslinking of the metal NP composites with molecular receptors, or the imprinting of molecular recognition sites into the electropolymerized NP matrices lead to selective and chiroselective sensing interfaces. Furthermore, the electrosynthesis of redox-active, imprinted, bis-aniline bridged Au NP composites yields electrochemically triggered "sponges" for the switchable uptake and release of electron-acceptor substrates, and results in conductive surfaces of electrochemically controlled wettability. Also, photosensitizer-relay-crosslinked Au NP composites, or electrochemically polymerized layered semiconductor quantum dot/metal NP matrices on electrodes, are demonstrated as functional nanostructures for photoelectrochemical applications. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Determination of the neutral oxygen atom density in a plasma reactor loaded with metal samples

Science.gov (United States)

Mozetic, Miran; Cvelbar, Uros

2009-08-01

The density of neutral oxygen atoms was determined during processing of metal samples in a plasma reactor. The reactor was a Pyrex tube with an inner diameter of 11 cm and a length of 30 cm. Plasma was created by an inductively coupled radiofrequency generator operating at a frequency of 27.12 MHz and output power up to 500 W. The O density was measured at the edge of the glass tube with a copper fiber optics catalytic probe. The O atom density in the empty tube depended on pressure and was between 4 and 7 × 1021 m-3. The maximum O density was at a pressure of about 150 Pa, while the dissociation fraction of O2 molecules was maximal at the lowest pressure and decreased with increasing pressure. At about 300 Pa it dropped below 10%. The measurements were repeated in the chamber loaded with different metallic samples. In these cases, the density of oxygen atoms was lower than that in the empty chamber. The results were explained by a drain of O atoms caused by heterogeneous recombination on the samples.

Porous Aluminum Oxide and Magnesium Oxide Films Using Organic Hydrogels as Structure Matrices

Directory of Open Access Journals (Sweden)

Zimei Chen

2018-03-01

Full Text Available We describe the synthesis of mesoporous Al2O3 and MgO layers on silicon wafer substrates by using poly(dimethylacrylamide hydrogels as porogenic matrices. Hydrogel films are prepared by spreading the polymer through spin-coating, followed by photo-cross-linking and anchoring to the substrate surface. The metal oxides are obtained by swelling the hydrogels in the respective metal nitrate solutions and subsequent thermal conversion. Combustion of the hydrogel results in mesoporous metal oxide layers with thicknesses in the μm range and high specific surface areas up to 558 m2∙g−1. Materials are characterized by SEM, FIB ablation, EDX, and Kr physisorption porosimetry.

Intrinsic character of Stokes matrices

Science.gov (United States)

Gagnon, Jean-François; Rousseau, Christiane

2017-02-01

Two germs of linear analytic differential systems x k + 1Y‧ = A (x) Y with a non-resonant irregular singularity are analytically equivalent if and only if they have the same eigenvalues and equivalent collections of Stokes matrices. The Stokes matrices are the transition matrices between sectors on which the system is analytically equivalent to its formal normal form. Each sector contains exactly one separating ray for each pair of eigenvalues. A rotation in S allows supposing that R+ lies in the intersection of two sectors. Reordering of the coordinates of Y allows ordering the real parts of the eigenvalues, thus yielding triangular Stokes matrices. However, the choice of the rotation in x is not canonical. In this paper we establish how the collection of Stokes matrices depends on this rotation, and hence on a chosen order of the projection of the eigenvalues on a line through the origin.

Hierarchical matrices algorithms and analysis

CERN Document Server

Hackbusch, Wolfgang

2015-01-01

This self-contained monograph presents matrix algorithms and their analysis. The new technique enables not only the solution of linear systems but also the approximation of matrix functions, e.g., the matrix exponential. Other applications include the solution of matrix equations, e.g., the Lyapunov or Riccati equation. The required mathematical background can be found in the appendix. The numerical treatment of fully populated large-scale matrices is usually rather costly. However, the technique of hierarchical matrices makes it possible to store matrices and to perform matrix operations approximately with almost linear cost and a controllable degree of approximation error. For important classes of matrices, the computational cost increases only logarithmically with the approximation error. The operations provided include the matrix inversion and LU decomposition. Since large-scale linear algebra problems are standard in scientific computing, the subject of hierarchical matrices is of interest to scientists ...

Multiply gapped density of states in a normal metal in contact with a superconductor

Energy Technology Data Exchange (ETDEWEB)

Reutlinger, Johannes; Belzig, Wolfgang [Department of Physics, University of Konstanz, 78457 Konstanz (Germany); Nazarov, Yuli V. [Kavli Institute of Nanoscience Delft, Delft University of Technology, 2628 CJ Delft (Netherlands); Glazman, Leonid I. [Department of Physics, Yale University, New Haven CT 06511-8499 (United States)

2012-07-01

The spectral properties of a normal metal adjacent to a superconductor are strongly dependent on the characteristic mesoscopic energy scale - the Thouless energy E{sub Th} - and the strength of the connection. In this work, we predict that the local density of states (LDOS), besides the well know minigap {proportional_to}E{sub Th}, can exhibit a multiple gap structure, which strongly depends on the type of the contact. For ballistic contacts we calculate these secondary gaps analytically in the framework of quantum circuit theory of mesoscopic transport. The secondary gaps are absent in the case of tunnel contacts. In the general case the equations are solved numerically for more realistic contacts, like for example diffusive connectors or dirty interfaces, which are characterized by continuous distributions of transmission eigenvalues between 0 and 1. We find that the gap vanishes in these cases, but the density of states is still suppressed around the superconducting gap edge. Distribution functions with a stronger weight at higher transmissions can be modeled through asymmetric ballistic double junctions, which even exhibit multiple gaps. Such spectral signatures are fundamental to disordered nanoscopic conductors and experimentally accessible.

The ionic versus metallic nature of 2D electrides: a density-functional description.

Science.gov (United States)

Dale, Stephen G; Johnson, Erin R

2017-10-18

The two-dimensional (2D) electrides are a highly unusual class of materials, possessing interstitial electron layers sandwiched between cationic atomic layers of the solid. In this work, density-functional theory, with the exchange-hole dipole moment dispersion correction, is used to investigate exfoliation and interlayer sliding of the only two experimentally known 2D electrides: [Ca 2 N] + e - and [Y 2 C] 2+ (2e - ). Examination of the valence states during exfoliation identifies intercalated electrons in the bulk and weakly-bound surface-states in the fully-expanded case. The calculated exfoliation energies for the 2D electrides are found to be much higher than for typical 2D materials, which is attributed to the ionic nature of the electrides and the strong Coulomb forces governing the interlayer interactions. Conversely, the calculated sliding barriers are found to be quite low, comparable to those for typical 2D materials, and are effectively unchanged by exclusion of dispersion. We conjecture that the metallic nature of the interstitial electrons allows the atomic layers to move relative to each other without significantly altering the interlayer binding. Finally, comparison with previous works reveals the importance of a system-dependent dispersion correction in the density-functional treatment.

Non-local energy density functionals: models plus some exact general results

International Nuclear Information System (INIS)

March, N.H.

2001-02-01

Holas and March (Phys. Rev. A51, 2040, 1995) gave a formally exact expression for the force - δV xc (r-tilde)/δr-tilde associated with the exchange-correlation potential V xc (r-tilde) of density functional theory. This forged a precise link between first- and second-order density matrices and V xc (r-tilde). Here models are presented in which these low-order matrices can be related to the ground-state electron density. This allows non-local energy density functionals to be constructed within the framework of such models. Finally, results emerging from these models have led to the derivation of some exact 'nuclear cusp' relations for exchange and correlation energy densities in molecules, clusters and condensed phases. (author)

Dense tissue-like collagen matrices formed in cell-free conditions.

Science.gov (United States)

Mosser, Gervaise; Anglo, Anny; Helary, Christophe; Bouligand, Yves; Giraud-Guille, Marie-Madeleine

2006-01-01

A new protocol was developed to produce dense organized collagen matrices hierarchically ordered on a large scale. It consists of a two stage process: (1) the organization of a collagen solution and (2) the stabilization of the organizations by a sol-gel transition that leads to the formation of collagen fibrils. This new protocol relies on the continuous injection of an acid-soluble collagen solution into glass microchambers. It leads to extended concentration gradients of collagen, ranging from 5 to 1000 mg/ml. The self-organization of collagen solutions into a wide array of spatial organizations was investigated. The final matrices obtained by this procedure varied in concentration, structure and density. Changes in the liquid state of the samples were followed by polarized light microscopy, and the final stabilized gel states obtained after fibrillogenesis were analyzed by both light and electron microscopy. Typical organizations extended homogeneously by up to three centimetres in one direction and several hundreds of micrometers in other directions. Fibrillogenesis of collagen solutions of high and low concentrations led to fibrils spatially arranged as has been described in bone and derm, respectively. Moreover, a relationship was revealed between the collagen concentration and the aggregation of and rotational angles between lateral fibrils. These results constitute a strong base from which to further develop highly enriched collagen matrices that could lead to substitutes that mimic connective tissues. The matrices thus obtained may also be good candidates for the study of the three-dimensional migration of cells.

Density functional theory based screening of ternary alkali-transition metal borohydrides: A computational material design project

DEFF Research Database (Denmark)

Hummelshøj, Jens Strabo; Landis, David; Voss, Johannes

2009-01-01

We present a computational screening study of ternary metal borohydrides for reversible hydrogen storage based on density functional theory. We investigate the stability and decomposition of alloys containing 1 alkali metal atom, Li, Na, or K (M1); and 1 alkali, alkaline earth or 3d/4d transition...

Semi-metallic polymers

DEFF Research Database (Denmark)

Bubnova, Olga; Khan, Zia Ullah; Wang, Hui

2014-01-01

Polymers are lightweight, flexible, solution-processable materials that are promising for low-cost printed electronics as well as for mass-produced and large-area applications. Previous studies demonstrated that they can possess insulating, semiconducting or metallic properties; here we report...... that polymers can also be semi-metallic. Semi-metals, exemplified by bismuth, graphite and telluride alloys, have no energy bandgap and a very low density of states at the Fermi level. Furthermore, they typically have a higher Seebeck coefficient and lower thermal conductivities compared with metals, thus being...... a Fermi glass to a semi-metal. The high Seebeck value, the metallic conductivity at room temperature and the absence of unpaired electron spins makes polymer semi-metals attractive for thermoelectrics and spintronics....

Multiconfiguration pair-density functional theory: barrier heights and main group and transition metal energetics.

Science.gov (United States)

Carlson, Rebecca K; Li Manni, Giovanni; Sonnenberger, Andrew L; Truhlar, Donald G; Gagliardi, Laura

2015-01-13

Kohn-Sham density functional theory, resting on the representation of the electronic density and kinetic energy by a single Slater determinant, has revolutionized chemistry, but for open-shell systems, the Kohn-Sham Slater determinant has the wrong symmetry properties as compared to an accurate wave function. We have recently proposed a theory, called multiconfiguration pair-density functional theory (MC-PDFT), in which the electronic kinetic energy and classical Coulomb energy are calculated from a multiconfiguration wave function with the correct symmetry properties, and the rest of the energy is calculated from a density functional, called the on-top density functional, that depends on the density and the on-top pair density calculated from this wave function. We also proposed a simple way to approximate the on-top density functional by translation of Kohn-Sham exchange-correlation functionals. The method is much less expensive than other post-SCF methods for calculating the dynamical correlation energy starting with a multiconfiguration self-consistent-field wave function as the reference wave function, and initial tests of the theory were quite encouraging. Here, we provide a broader test of the theory by applying it to bond energies of main-group molecules and transition metal complexes, barrier heights and reaction energies for diverse chemical reactions, proton affinities, and the water dimerization energy. Averaged over 56 data points, the mean unsigned error is 3.2 kcal/mol for MC-PDFT, as compared to 6.9 kcal/mol for Kohn-Sham theory with a comparable density functional. MC-PDFT is more accurate on average than complete active space second-order perturbation theory (CASPT2) for main-group small-molecule bond energies, alkyl bond dissociation energies, transition-metal-ligand bond energies, proton affinities, and the water dimerization energy.

Higher-order terms in the nuclear-energy-density functional

International Nuclear Information System (INIS)

Carlsson, B. G.; Borucki, M.; Dobaczewski, J.

2009-01-01

One of the current projects at the Department of Physics in the University of Jyvaeskylae is to explore more general forms of the Skyrme energy-density functional (EDF). The aim is to find new phenomenological terms which are sensitive to experimental data. In this context we have extended the Skyrme functional by including terms which contain higher orders of derivatives allowing for a better description of finite range effects. This was done by employing an expansion in derivatives in a spherical-tensor formalism [1] motivated by ideas of the density-matrix expansion. The resulting functionals have different number of free parameters depending on the order in derivatives and assumed symmetries, see Fig. 1. The usual Skyrme EDF is obtained as a second order expansion while we keep terms up to sixth order.(author)

Special matrices of mathematical physics stochastic, circulant and Bell matrices

CERN Document Server

Aldrovandi, R

2001-01-01

This book expounds three special kinds of matrices that are of physical interest, centering on physical examples. Stochastic matrices describe dynamical systems of many different types, involving (or not) phenomena like transience, dissipation, ergodicity, nonequilibrium, and hypersensitivity to initial conditions. The main characteristic is growth by agglomeration, as in glass formation. Circulants are the building blocks of elementary Fourier analysis and provide a natural gateway to quantum mechanics and noncommutative geometry. Bell polynomials offer closed expressions for many formulas co

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

Exposure of Cleft Lip and Palate Patients to Toxic Elements Released during Orthodontic Treatment in the Study of Non-Invasive Matrices.

Directory of Open Access Journals (Sweden)

Marcin Mikulewicz

Full Text Available The aim of the study was evaluation of metal ions (nickel and chromium released from orthodontic appliances in cleft lip and palate patients and the usefulness of non-invasive matrices (saliva and hair.The material studied consisted of 100 individuals, including 59 females and 41 males of 5 to 16 years of age, which were divided into 3 groups: experimental-patients with cleft lip and palate (36 individuals, the average treatment time 5.74 years; control group-patients without cleft lip and palate, during orthodontic treatment (32 individuals, the average treatment time 1.78 years and the control group patients without cleft lip and palate, without any orthodontic appliances (32 individuals. Samples (saliva, hair were collected and subjects underwent a survey by questionnaire. Multi-elemental analyses of the composition of non-invasive matrices was conducted in an accredited laboratory by inductively coupled plasma spectrometry technique ICP-OES. The results were reported as mean contents of particular elements (Cd, Cr, Cu, Fe, Mn, Mo, Ni, Si in hair and in saliva.The concentration of Cr, Ni, Fe and Cu ions in saliva of cleft lip and palate patients were several times higher as compared with not treated orthodontically control groups and higher than in the group with orthodontic appliances. Among the assessed matrices, hair of cleft lip and palate patients seem to be not a meaningful biomarker.It was found that orthodontic appliances used in long-term treatment of cleft lip and palate patients do not release toxic levels of Cr and Ni ions.

Imaginary time density-density correlations for two-dimensional electron gases at high density

Energy Technology Data Exchange (ETDEWEB)

Motta, M.; Galli, D. E. [Dipartimento di Fisica, Università degli Studi di Milano, Via Celoria 16, 20133 Milano (Italy); Moroni, S. [IOM-CNR DEMOCRITOS National Simulation Center and SISSA, Via Bonomea 265, 34136 Trieste (Italy); Vitali, E. [Department of Physics, College of William and Mary, Williamsburg, Virginia 23187-8795 (United States)

2015-10-28

We evaluate imaginary time density-density correlation functions for two-dimensional homogeneous electron gases of up to 42 particles in the continuum using the phaseless auxiliary field quantum Monte Carlo method. We use periodic boundary conditions and up to 300 plane waves as basis set elements. We show that such methodology, once equipped with suitable numerical stabilization techniques necessary to deal with exponentials, products, and inversions of large matrices, gives access to the calculation of imaginary time correlation functions for medium-sized systems. We discuss the numerical stabilization techniques and the computational complexity of the methodology and we present the limitations related to the size of the systems on a quantitative basis. We perform the inverse Laplace transform of the obtained density-density correlation functions, assessing the ability of the phaseless auxiliary field quantum Monte Carlo method to evaluate dynamical properties of medium-sized homogeneous fermion systems.

On the Feasibility of Very-Low-Density Pure Metal Foams as Bright High-Energy X-ray Sources

Science.gov (United States)

Colvin, Jeffrey; Felter, Thomas

2003-10-01

We have used the Busquet approximation (M. Busquet, Phys. Fluids B 5(11), 4191 (1993)) to explore calculationally what the possible x-ray conversion efficiencies into the K-band would be from irradiating very-low-density pure metal foams with tens of kilojoules of 1/3-micron laser light. We will discuss the advantages of pure metal foams as bright high-energy x-ray sources, and some results of this calculational study. We will also present our ideas for how to fabricate pure metal foams with densities of a few milligrams per cubic centimeter. This work was performed under the auspices of the US Department of Energy by University of California Lawrence Livermore National Laboratory under contract No. W-7405-Eng-48.

The role of heavy metals and polychlorinated biphenyls (PCBs) in the oncogenesis of head and neck tumors and thyroid diseases: a pilot study.

Science.gov (United States)

Petrosino, V; Motta, G; Tenore, G; Coletta, M; Guariglia, A; Testa, D

2018-04-01

Previous literature has highlighted the mechanisms of molecular toxicity induced by substances such as arsenic, cadmium, chromium, nickel, lead, barium and PCBs. The research was carried out on 20 volunteers, all the patients gave their consent to the research: the aim of the study was to evaluate the presence of metals and PCBs in these different matrices (blood and hair), correlating the biochemical data to pathological conditions present, and also to the area in which patients resided. Various quantitative determinations were carried out on samples of blood and hair for 14 heavy metals and on blood samples for 12 PCBs. For the 11 patients the results indicated that blood levels for half of the 14 displayed heavy metals measured considerably higher compared to the reference values, whilst the levels measured in hair evidenced some positive values significantly higher than the maximum reference. Of the 12 PCBs assayed in blood some showed higher positive values compared to the maximum tabular reference (although there is no clear reference quantified in the WHO-2005 report). In the 9 healthy patients heavy metals in the blood were within the expected target range, with those showing positive results (≤ 3 out of 14 heavy metals for each patient) having values only slightly higher than the reference maximum. The levels of 14 heavy metals measured in hair were below thresholds, and levels for the 12 PCBs measured in blood showed negativity or positivity with values close to the minimum benchmarks. The analyses carried out on biological matrices have uncovered important and significant differences between healthy and unhealthy subjects, both qualitative and quantitative differences with respect to heavy metals and PCBs. All patients with head and neck cancer enlisted for the study had heavy metal and PCB blood levels at least twice the maximum reference level. The levels of heavy metals in hair were at least double the maximum reference. In contrast, all healthy

Polymer Percolation Threshold in Multi-Component HPMC Matrices Tablets

Directory of Open Access Journals (Sweden)

Maryam Maghsoodi

2011-06-01

Full Text Available Introduction: The percolation theory studies the critical points or percolation thresholds of the system, where onecomponent of the system undergoes a geometrical phase transition, starting to connect the whole system. The application of this theory to study the release rate of hydrophilic matrices allows toexplain the changes in release kinetics of swellable matrix type system and results in a clear improvement of the design of controlled release dosage forms. Methods: In this study, the percolation theory has been applied to multi-component hydroxypropylmethylcellulose (HPMC hydrophilic matrices. Matrix tablets have been prepared using phenobarbital as drug,magnesium stearate as a lubricant employing different amount of lactose and HPMC K4M as a fillerandmatrix forming material, respectively. Ethylcelullose (EC as a polymeric excipient was also examined. Dissolution studies were carried out using the paddle method. In order to estimate the percolation threshold, the behaviour of the kinetic parameters with respect to the volumetric fraction of HPMC at time zero, was studied. Results: In both HPMC/lactose and HPMC/EC/lactose matrices, from the point of view of the percolation theory, the optimum concentration for HPMC, to obtain a hydrophilic matrix system for the controlled release of phenobarbital is higher than 18.1% (v/v HPMC. Above 18.1% (v/v HPMC, an infinite cluster of HPMC would be formed maintaining integrity of the system and controlling the drug release from the matrices. According to results, EC had no significant influence on the HPMC percolation threshold. Conclusion: This may be related to broad functionality of the swelling hydrophilic matrices.

Higher insulin sensitivity in vegans is not associated with higher mitochondrial density.

Science.gov (United States)

Gojda, J; Patková, J; Jaček, M; Potočková, J; Trnka, J; Kraml, P; Anděl, M

2013-12-01

Vegans have a lower incidence of insulin resistance (IR)-associated diseases and a higher insulin sensitivity (IS) compared with omnivores. The aim of this study was to examine whether the higher IS in vegans relates to markers of mitochondrial biogenesis and to intramyocellular lipid (IMCL) content. Eleven vegans and 10 matched (race, age, sex, body mass index, physical activity and energy intake) omnivorous controls were enrolled in a case-control study. Anthropometry, bioimpedance (BIA), ultrasound measurement of visceral and subcutaneous fat layer, parameters of glucose and lipid homeostasis, hyperinsulinemic euglycemic clamp and muscle biopsies were performed. Citrate synthase (CS) activity, mitochondrial DNA (mtDNA) and IMCL content were assessed in skeletal muscle samples. Both groups were comparable in anthropometric and BIA parameters, physical activity and protein-energy intake. Vegans had significantly higher glucose disposal (M-value, vegans 8.11±1.51 vs controls 6.31±1.57 mg/kg/min, 95% confidence interval: 0.402 to 3.212, P=0.014), slightly lower IMCL content (vegans 13.91 (7.8 to 44.0) vs controls 17.36 (12.4 to 78.5) mg/g of muscle, 95% confidence interval: -7.594 to 24.550, P=0.193) and slightly higher relative muscle mtDNA amount (vegans 1.36±0.31 vs controls 1.13±0.36, 95% confidence interval:-0.078 to 0.537, P=0.135). No significant differences were found in CS activity (vegans 18.43±5.05 vs controls 18.16±5.41 μmol/g/min, 95% confidence interval: -4.503 to 5.050, P=0.906). Vegans have a higher IS, but comparable mitochondrial density and IMCL content with omnivores. This suggests that a decrease in whole-body glucose disposal may precede muscle lipid accumulation and mitochondrial dysfunction in IR development.

Development and testing of matrices for the encapsulation of glass and ceramic nuclear waste forms

International Nuclear Information System (INIS)

Wald, J.W.; Brite, D.W.; Gurwell, W.E.; Buckwalter, C.Q.; Bunnell, L.R.; Gray, W.J.; Blair, H.T.; Rusin, J.M.

1982-02-01

This report details the results of research on the matrix encapsulation of high level wastes at PML over the past few years. The demonstrations and tests described were designed to illustrate how the waste materials are effected when encapsulated in an inert matrix. Candidate materials evaluated for potential use as matrices for encapslation of pelletized ceramics or glass marbles were categorized into four groups: metals, glasses, ceramics, and graphite. Two processing techniques, casting and hot pressing, were investigated as the most promising methods of formation or densification of the matrices. The major results reported deal with the development aspects. However, chemical durability tests (leach tests) of the matrix materials themselves and matrix-waste form composites are also reported. Matrix waste forms can provide a low porosity, waste-free barrier resulting in increased leach protection, higher impact strength and improved thermal conductivity compared to unencapsulated glass or ceramic waste materials. Glass marbles encapsulated in a lead matrix offer the most significant improvement in waste form stability of all combinations evaluated. This form represents a readily demonstrable process that provides high thermal conductivity, mechanical shock resistance, radiation shielding and increased chemical durability through both a chemical passivation mechanism and as a physical barrier. Other durable matrix waste forms evaluated, applicable primarily to ceramic pellets, involved hot-pressed titanium or TiO 2 materials. In the processing of these forms, near 100% dense matrices were obtained. The matrix materials had excellent compatibility with the waste materials and superior potential chemical durability. Cracking of the hot-pressed ceramic matrix forms, in general, prevented the realization of their optimum properties

Frequency filtering decompositions for unsymmetric matrices and matrices with strongly varying coefficients

Energy Technology Data Exchange (ETDEWEB)

Wagner, C.

1996-12-31

In 1992, Wittum introduced the frequency filtering decompositions (FFD), which yield a fast method for the iterative solution of large systems of linear equations. Based on this method, the tangential frequency filtering decompositions (TFFD) have been developed. The TFFD allow the robust and efficient treatment of matrices with strongly varying coefficients. The existence and the convergence of the TFFD can be shown for symmetric and positive definite matrices. For a large class of matrices, it is possible to prove that the convergence rate of the TFFD and of the FFD is independent of the number of unknowns. For both methods, schemes for the construction of frequency filtering decompositions for unsymmetric matrices have been developed. Since, in contrast to Wittums`s FFD, the TFFD needs only one test vector, an adaptive test vector can be used. The TFFD with respect to the adaptive test vector can be combined with other iterative methods, e.g. multi-grid methods, in order to improve the robustness of these methods. The frequency filtering decompositions have been successfully applied to the problem of the decontamination of a heterogeneous porous medium by flushing.

Intermittency and random matrices

Science.gov (United States)

Sokoloff, Dmitry; Illarionov, E. A.

2015-08-01

A spectacular phenomenon of intermittency, i.e. a progressive growth of higher statistical moments of a physical field excited by an instability in a random medium, attracted the attention of Zeldovich in the last years of his life. At that time, the mathematical aspects underlying the physical description of this phenomenon were still under development and relations between various findings in the field remained obscure. Contemporary results from the theory of the product of independent random matrices (the Furstenberg theory) allowed the elaboration of the phenomenon of intermittency in a systematic way. We consider applications of the Furstenberg theory to some problems in cosmology and dynamo theory.

LCAO fitting of positron 2D-ACAR momentum densities of non-metallic solids

International Nuclear Information System (INIS)

Chiba, T.

2001-01-01

We present a least-squares fitting method to fit and analyze momentum densities obtained by 2D-ACAR. The method uses an LCAO-MO as a fitting basis and thus is applicable to non-metals. Here we illustrate the method by taking MgO as an example. (orig.)

LCAO fitting of positron 2D-ACAR momentum densities of non-metallic solids

Energy Technology Data Exchange (ETDEWEB)

Chiba, T. [National Inst. for Research in Inorganic Materials, Tsukuba, Ibaraki (Japan)

2001-07-01

We present a least-squares fitting method to fit and analyze momentum densities obtained by 2D-ACAR. The method uses an LCAO-MO as a fitting basis and thus is applicable to non-metals. Here we illustrate the method by taking MgO as an example. (orig.)

Spectral correlation functions of the sum of two independent complex Wishart matrices with unequal covariances

International Nuclear Information System (INIS)

Akemann, Gernot; Checinski, Tomasz; Kieburg, Mario

2016-01-01

We compute the spectral statistics of the sum H of two independent complex Wishart matrices, each of which is correlated with a different covariance matrix. Random matrix theory enjoys many applications including sums and products of random matrices. Typically ensembles with correlations among the matrix elements are much more difficult to solve. Using a combination of supersymmetry, superbosonisation and bi-orthogonal functions we are able to determine all spectral k -point density correlation functions of H for arbitrary matrix size N . In the half-degenerate case, when one of the covariance matrices is proportional to the identity, the recent results by Kumar for the joint eigenvalue distribution of H serve as our starting point. In this case the ensemble has a bi-orthogonal structure and we explicitly determine its kernel, providing its exact solution for finite N . The kernel follows from computing the expectation value of a single characteristic polynomial. In the general non-degenerate case the generating function for the k -point resolvent is determined from a supersymmetric evaluation of the expectation value of k ratios of characteristic polynomials. Numerical simulations illustrate our findings for the spectral density at finite N and we also give indications how to do the asymptotic large- N analysis. (paper)

Introduction to matrices and vectors

CERN Document Server

Schwartz, Jacob T

2001-01-01

In this concise undergraduate text, the first three chapters present the basics of matrices - in later chapters the author shows how to use vectors and matrices to solve systems of linear equations. 1961 edition.

The influence of inorganic matrices on the decomposition of Eucalyptus litter

International Nuclear Information System (INIS)

Skene, T.M.; Oades, J.M.; Clarke, P.J.; Skjemstad, J.O.; Oades, J.M.; Skjemstad, J.O.

1997-01-01

The decomposition of Eucalyptus litter (EL) in the presence and absence of inorganic matrices [sad (S), sand+kaolin (S+K), loamy sand (LS)] with and without added N (urea) was followed over 48 weeks using chemical and spectroscopic means. At the end of the incubation, the residual organic matter in different density and particle size fractions was examined. Urea addition inhibited the mineralisation of C from the litter in all treatments except EL+S+N, whereas the inorganic matrices had little influence on mineralisation. Solid state 13 C CP/MAS NMR spectra of the whole samples suggested there were no differences in the treatments, despite significant differences in the amount of C mineralized. The NMR spectra of the whole samples suggest that a reaction between aromatic-C and urea occurred during thr first week of the incubation which may have rendered the N unavailable to microorganisms. The results were quite different from a similar study on the decomposition of straw. these differences suggest that, for high quality substrates, physical protection by inorganic matrices is the limiting factor to decomposition, whereas for low quality substrates, chemical protection is the limiting factor. 13 refs., 2 tabs., 6 figs

Metal-Ligand Bonds of Second- and Third-Row d-Block Metals Characterized by Density Functional Theory

Science.gov (United States)

Jensen, Kasper P.

2009-08-01

This paper presents systematic data for 200 neutral diatomic molecules ML (M is a second- or third-row d-block metal and L = H, F, Cl, Br, I, C, N, O, S, or Se) computed with the density functionals TPSSh and BP86. With experimental structures and bond enthalpies available for many of these molecules, the computations first document the high accuracy of TPSSh, giving metal-ligand bond lengths with a mean absolute error of ˜0.01 Å for the second row and 0.03 Å for the third row. TPSSh provides metal-ligand bond enthalpies with mean absolute errors of 37 and 44 kJ/mol for the second- and third-row molecules, respectively. Pathological cases (e.g., HgC and HgN) have errors of up to 155 kJ/mol, more than thrice the mean (observed with both functionals). Importantly, the systematic error component is negligible as measured by a coefficient of the linear regression line of 0.99. Equally important, TPSSh provides uniform accuracy across all three rows of the d-block, which is unprecedented and due to the 10% exact exchange, which is close to optimal for the d-block as a whole. This work provides an accurate and systematic prediction of electronic ground-state spins, characteristic metal-ligand bond lengths, and bond enthalpies for many as yet uncharacterized diatomics, of interest to researchers in the field of second- and third-row d-block chemistry. We stress that the success of TPSSh cannot be naively extrapolated to other special situations such as, e.g., metal-metal bonds. The high accuracy of the procedure further implies that the effective core functions used to model relativistic effects are necessary and sufficient for obtaining accurate geometries and bond enthalpies of second- and third-row molecular systems.

Design of experiments approach to engineer cell-secreted matrices for directing osteogenic differentiation.

Science.gov (United States)

Decaris, Martin L; Leach, J Kent

2011-04-01

The presentation of extracellular matrix (ECM) proteins provides an opportunity to instruct the phenotype and behavior of responsive cells. Decellularized cell-secreted matrix coatings (DM) represent a biomimetic culture surface that retains the complexity of the natural ECM. Microenvironmental culture conditions alter the composition of these matrices and ultimately the ability of DMs to direct cell fate. We employed a design of experiments (DOE) multivariable analysis approach to determine the effects and interactions of four variables (culture duration, cell seeding density, oxygen tension, and media supplementation) on the capacity of DMs to direct the osteogenic differentiation of human mesenchymal stem cells (hMSCs). DOE analysis revealed that matrices created with extended culture duration, ascorbate-2-phosphate supplementation, and in ambient oxygen tension exhibited significant correlations with enhanced hMSC differentiation. We validated the DOE model results using DMs predicted to have superior (DM1) or lesser (DM2) osteogenic potential for naïve hMSCs. Compared to cells on DM2, hMSCs cultured on DM1 expressed 2-fold higher osterix levels and deposited 3-fold more calcium over 3 weeks. Cells on DM1 coatings also exhibited greater proliferation and viability compared to DM2-coated substrates. This study demonstrates that DOE-based analysis is a powerful tool for optimizing engineered systems by identifying significant variables that have the greatest contribution to the target output.

Electron density in reasonably real metallic surfaces, including interchange and correlation effects

International Nuclear Information System (INIS)

Moraga, L.A.; Martinez, G.

1981-01-01

By means of a new method, the electron density in a jellium surface is calculated taking in account interchange and correlation effects; reproducing, in this way, the Lang and Kohn results. The new method is self-consistent but not iterative and hence is possible extend it to the solution of the same problem in more reasonably real metallic surfaces. (L.C.) [pt

Report on the scientific feasibility of new matrices for the conditioning of long lived radionuclides; Rapport sur la faisabilite scientifique des matrices nouvelles de conditionnement des radionucleides a vie longue

Energy Technology Data Exchange (ETDEWEB)

NONE

2001-07-01

New specific matrices for the conditioning of long lived radionuclides (I, Cs, Tc, minor actinides) have been developed. This report presents the conditions of their synthesis by sintering or melting and the quantifying of their crystallographic, physical and thermal properties. A 7% mass insertion of iodine can be reached with a phosphorus-vanadium-lead iodo-apatite. A 5% mass insertion of cesium is reached with the hollandite-type crystal structure (barium aluminate-titanate). An insertion level of at least 10% mass of rare earth oxides (simulating the presence of actinides) is reached for britholite, zirconolite, thorium phosphate, monazite, and zirconolite glass/ceramic materials. The chemical durability has been also determined. Enhanced aqueous corrosion resistance, 100 times better than for the glasses used today, are obtained for iodo-apatite (I), hollandite (Cs), britholite (actinides 3+/4+), thorium phosphate (actinides 4+) and monazite (3+/4+). The first elements of stability with respect to irradiation are reported for the minor actinide conditioning matrices. External post-irradiation examinations by heavy ion bombardment coupled to atomistic modeling have been performed. The characterization of self-irradiated natural analogues of britholite, zirconolite and monazite with more than 10{sup 20} {alpha}/g disintegrations confirms the very long time stability of these mineral structures (>10{sup 8} years). On the basis of the obtained results, it appears that the iodo-apatite, britholite, zirconolite, and thorium phosphate conditioning matrices have reached the stage of scientifical feasibility. The monazite matrice is on the way to reach the feasibility too. Other specific matrices for technetium (metal alloys) and cesium (hollandite) are also under development, but their long-term properties remain to be determined. (J.S.)

Density Determination of Metallic Melts from Diffuse X-Ray Scattering

Science.gov (United States)

Brauser, N.; Davis, A.; Greenberg, E.; Prakapenka, V. B.; Campbell, A.

2017-12-01

Liquids comprise several important structural components of the deep Earth, for example, the present outer core and a hypothesized magma ocean early in Earth history. However, the physical properties of the constituent materials of these structures at high pressures and temperatures are less well constrained than their crystalline counterparts. Determination of the physical properties of these liquids can inform geophysical models of the composition and structure of the Earth, but methods for studying the physical properties of liquids at high pressure and temperatures are underdeveloped. One proposed method for direct determination of density of a melt requires analysis of the diffuse scattered X-ray signal of the liquid. Among the challenges to applying this technique to high-pressure melts within a laser heated diamond anvil cell are the low signal-to-noise ratio and overlapping diffraction peaks from the crystalline components of the sample assembly interfering with the diffuse scattering from the liquid. Recent advances in instrumentation at synchrotron X-ray sources have made this method more accessible for determination of density of melted material. In this work we present the technique and report the densities of three high-pressure melts of the FCC metals iron, nickel, and gold derived from diffuse scattered X-ray spectra collected from in situ laser-heated diamond anvil cell synchrotron experiments. The results are compared to densities derived from shock wave experiments.

Towards High Power Density Metal Supported Solid Oxide Fuel Cell for Mobile Applications

DEFF Research Database (Denmark)

Nielsen, Jimmi; Persson, Åsa H.; Muhl, Thuy Thanh

2018-01-01

For use of metal supported solid oxide fuel cell (MS-SOFC) in mobile applications it is important to reduce the thermal mass to enable fast startup, increase stack power density in terms of weight and volume and reduce costs. In the present study, we report on the effect of reducing the Technical...

High Density Hydrogen Storage in Metal Hydride Composites with Air Cooling

OpenAIRE

Dieterich, Mila; Bürger, Inga; Linder, Marc

2015-01-01

INTRODUCTION In order to combine fluctuating renewable energy sources with the actual demand of electrical energy, storages are essential. The surplus energy can be stored as hydrogen to be used either for mobile use, chemical synthesis or reconversion when needed. One possibility to store the hydrogen gas at high volumetric densities, moderate temperatures and low pressures is based on a chemical reaction with metal hydrides. Such storages must be able to absorb and desorb the hydrogen qu...

A unified dislocation density-dependent physical-based constitutive model for cold metal forming

Science.gov (United States)

Schacht, K.; Motaman, A. H.; Prahl, U.; Bleck, W.

2017-10-01

Dislocation-density-dependent physical-based constitutive models of metal plasticity while are computationally efficient and history-dependent, can accurately account for varying process parameters such as strain, strain rate and temperature; different loading modes such as continuous deformation, creep and relaxation; microscopic metallurgical processes; and varying chemical composition within an alloy family. Since these models are founded on essential phenomena dominating the deformation, they have a larger range of usability and validity. Also, they are suitable for manufacturing chain simulations since they can efficiently compute the cumulative effect of the various manufacturing processes by following the material state through the entire manufacturing chain and also interpass periods and give a realistic prediction of the material behavior and final product properties. In the physical-based constitutive model of cold metal plasticity introduced in this study, physical processes influencing cold and warm plastic deformation in polycrystalline metals are described using physical/metallurgical internal variables such as dislocation density and effective grain size. The evolution of these internal variables are calculated using adequate equations that describe the physical processes dominating the material behavior during cold plastic deformation. For validation, the model is numerically implemented in general implicit isotropic elasto-viscoplasticity algorithm as a user-defined material subroutine (UMAT) in ABAQUS/Standard and used for finite element simulation of upsetting tests and a complete cold forging cycle of case hardenable MnCr steel family.

Geometry and arithmetic of factorized S-matrices

International Nuclear Information System (INIS)

Freund, P.G.O.

1995-01-01

In realistic four-dimensional quantum field theories integrability is elusive. Relativity, when combined with quantum theory does not permit an infinity of local conservation laws except for free fields, for which the S-matrix is trivial S = 1. In two space-time dimensions, where forward and backward scattering are the only possibilities, nontrivial S-matrices are possible even in integrable theories. Such S-matrices are known to factorize [1]. This means that there is no particle production, so that the 4-point amplitudes determine all higher n-point amplitudes. In our recent work [2, 3, 4, 5, 6] we found that in such integrable two-dimensional theories, even the input 4-point amplitudes are determined by a simple principle. Roughly speaking these amplitudes describe the S-wave scattering which one associates with free motion on certain quantum-symmetric spaces. The trivial S-matrix of free field theory describes the absence of scattering which one associates with free motion on a euclidean space, itself a symmetric space. As is well known [7, 8, 9], for curved symmetric spaces the S-matrices for S-wave scattering are no longer trivial, but rather they are determined by the Harish-Chandra c-functions of these spaces [10]. The quantum deformation of this situation is what appears when one considers excitation scattering in two-dimensional integrable models. (orig.)

Towards High Power Density Metal Supported Solid Oxide Fuel Cell for Mobile Applications

DEFF Research Database (Denmark)

Nielsen, Jimmi; Persson, Åsa Helen; Muhl, Thuy

2017-01-01

For use of metal supported SOFC in mobile applications it is important to reduce the thermal mass to enable fast start up, increase stack power density in terms of weight and volume and reduce costs. In the present study, we report on the effect of reducing the support layer thickness of 313 μm...

Numerically Stable Evaluation of Moments of Random Gram Matrices With Applications

KAUST Repository

Elkhalil, Khalil; Kammoun, Abla; Al-Naffouri, Tareq Y.; Alouini, Mohamed-Slim

2017-01-01

This paper focuses on the computation of the positive moments of one-side correlated random Gram matrices. Closed-form expressions for the moments can be obtained easily, but numerical evaluation thereof is prone to numerical stability, especially in high-dimensional settings. This letter provides a numerically stable method that efficiently computes the positive moments in closed-form. The developed expressions are more accurate and can lead to higher accuracy levels when fed to moment based-approaches. As an application, we show how the obtained moments can be used to approximate the marginal distribution of the eigenvalues of random Gram matrices.

Numerically Stable Evaluation of Moments of Random Gram Matrices With Applications

KAUST Repository

Elkhalil, Khalil

2017-07-31

This paper focuses on the computation of the positive moments of one-side correlated random Gram matrices. Closed-form expressions for the moments can be obtained easily, but numerical evaluation thereof is prone to numerical stability, especially in high-dimensional settings. This letter provides a numerically stable method that efficiently computes the positive moments in closed-form. The developed expressions are more accurate and can lead to higher accuracy levels when fed to moment based-approaches. As an application, we show how the obtained moments can be used to approximate the marginal distribution of the eigenvalues of random Gram matrices.

Chemiluminescence in cryogenic matrices

Science.gov (United States)

Lotnik, S. V.; Kazakov, Valeri P.

1989-04-01

The literature data on chemiluminescence (CL) in cryogenic matrices have been classified and correlated for the first time. The role of studies on phosphorescence and CL at low temperatures in the development of cryochemistry is shown. The features of low-temperature CL in matrices of nitrogen and inert gases (fine structure of spectra, matrix effects) and the data on the mobility and reactivity of atoms and radicals at very low temperatures are examined. The trends in the development of studies on CL in cryogenic matrices, such as the search for systems involving polyatomic molecules and extending the forms of CL reactions, are followed. The reactions of active nitrogen with hydrocarbons that are accompanied by light emission and CL in the oxidation of carbenes at T >= 77 K are examined. The bibliography includes 112 references.

Screening of active metals for reactive adsorption desulfurization adsorbent using density functional theory

Energy Technology Data Exchange (ETDEWEB)

Wang, Lei; Zhao, Liang, E-mail: liangzhao@cup.edu.cn; Xu, Chunming; Wang, Yuxian; Gao, Jinsen

2017-03-31

Highlights: • Electronic characteristics determined adsorption characteristics of transition metals. • Cobalt has the similar adsorption ability of thiophene as nickel. • Adsorption capacity of Cr and Mo was extremely fierce, while Cu has the potential ability for adsorbing thiophene. • The preference adsorption site for thiophene was hollow site on all the seven surface. - Abstract: To explore characteristics of active metals for reactive adsorption desulfurization (RADS) technology, the adsorption of thiophene on M (100) (M = Cr, Mo, Co, Ni, Cu, Au, and Ag) surfaces was systematically studied by density functional theory with vdW correction (DFT + D3). We found that, in all case, the most stable molecular adsorption site was the hollow site and adsorptive capabilities of thiophene followed the order: Cr > Mo > Co ≈ Ni > Cu > Au ≈ Ag. By analyzing the nature of binding between thiophene and corresponding metals and the electronic structure of metals, the excessive activities of Cr and Mo were found to have a negative regeneration, the passive activities of Au and Ag were found to have an inactive adsorption for RADS adsorbent alone, while Ni and Co have appropriate characteristics as the active metals for RADS, followed by Cu.

Krylov subspace method for evaluating the self-energy matrices in electron transport calculations

DEFF Research Database (Denmark)

Sørensen, Hans Henrik Brandenborg; Hansen, Per Christian; Petersen, D. E.

2008-01-01

We present a Krylov subspace method for evaluating the self-energy matrices used in the Green's function formulation of electron transport in nanoscale devices. A procedure based on the Arnoldi method is employed to obtain solutions of the quadratic eigenvalue problem associated with the infinite...... calculations. Numerical tests within a density functional theory framework are provided to validate the accuracy and robustness of the proposed method, which in most cases is an order of magnitude faster than conventional methods.......We present a Krylov subspace method for evaluating the self-energy matrices used in the Green's function formulation of electron transport in nanoscale devices. A procedure based on the Arnoldi method is employed to obtain solutions of the quadratic eigenvalue problem associated with the infinite...

Influence of metallic dental implants and metal artefacts on dose calculation accuracy.

Science.gov (United States)

Maerz, Manuel; Koelbl, Oliver; Dobler, Barbara

2015-03-01

Metallic dental implants cause severe streaking artefacts in computed tomography (CT) data, which inhibit the correct representation of shape and density of the metal and the surrounding tissue. The aim of this study was to investigate the impact of dental implants on the accuracy of dose calculations in radiation therapy planning and the benefit of metal artefact reduction (MAR). A second aim was to determine the treatment technique which is less sensitive to the presence of metallic implants in terms of dose calculation accuracy. Phantoms consisting of homogeneous water equivalent material surrounding dental implants were designed. Artefact-containing CT data were corrected using the correct density information. Intensity-modulated radiation therapy (IMRT) and volumetric modulated arc therapy (VMAT) plans were calculated on corrected and uncorrected CT data and compared to 2-dimensional dose measurements using GafChromic™ EBT2 films. For all plans the accuracy of dose calculations is significantly higher if performed on corrected CT data (p = 0.015). The agreement of calculated and measured dose distributions is significantly higher for VMAT than for IMRT plans for calculations on uncorrected CT data (p = 0.011) as well as on corrected CT data (p = 0.029). For IMRT and VMAT the application of metal artefact reduction significantly increases the agreement of dose calculations with film measurements. VMAT was found to provide the highest accuracy on corrected as well as on uncorrected CT data. VMAT is therefore preferable over IMRT for patients with metallic implants, if plan quality is comparable for the two techniques.

Influence of metallic dental implants and metal artefacts on dose calculation accuracy

International Nuclear Information System (INIS)

Maerz, Manuel; Koelbl, Oliver; Dobler, Barbara

2015-01-01

Metallic dental implants cause severe streaking artefacts in computed tomography (CT) data, which inhibit the correct representation of shape and density of the metal and the surrounding tissue. The aim of this study was to investigate the impact of dental implants on the accuracy of dose calculations in radiation therapy planning and the benefit of metal artefact reduction (MAR). A second aim was to determine the treatment technique which is less sensitive to the presence of metallic implants in terms of dose calculation accuracy. Phantoms consisting of homogeneous water equivalent material surrounding dental implants were designed. Artefact-containing CT data were corrected using the correct density information. Intensity-modulated radiation therapy (IMRT) and volumetric modulated arc therapy (VMAT) plans were calculated on corrected and uncorrected CT data and compared to 2-dimensional dose measurements using GafChromic trademark EBT2 films. For all plans the accuracy of dose calculations is significantly higher if performed on corrected CT data (p = 0.015). The agreement of calculated and measured dose distributions is significantly higher for VMAT than for IMRT plans for calculations on uncorrected CT data (p = 0.011) as well as on corrected CT data (p = 0.029). For IMRT and VMAT the application of metal artefact reduction significantly increases the agreement of dose calculations with film measurements. VMAT was found to provide the highest accuracy on corrected as well as on uncorrected CT data. VMAT is therefore preferable over IMRT for patients with metallic implants, if plan quality is comparable for the two techniques. (orig.) [de

Large head metal-on-metal cementless total hip arthroplasty versus 28mm metal-on-polyethylene cementless total hip arthroplasty: design of a randomized controlled trial

Directory of Open Access Journals (Sweden)

van Raaij Jos JAM

2008-10-01

Full Text Available Abstract Background Osteoarthritis of the hip is successfully treated by total hip arthroplasty with metal-on-polyethylene articulation. Polyethylene wear debris can however lead to osteolysis, aseptic loosening and failure of the implant. Large head metal-on-metal total hip arthroplasty may overcome polyethylene wear induced prosthetic failure, but can increase systemic cobalt and chromium ion concentrations. The objective of this study is to compare two cementless total hip arthroplasties: a conventional 28 mm metal-on-polyethylene articulation and a large head metal-on-metal articulation. We hypothesize that the latter arthroplasties show less bone density loss and higher serum metal ion concentrations. We expect equal functional scores, greater range of motion, fewer dislocations, fewer periprosthetic radiolucencies and increased prosthetic survival with the metal-on-metal articulation. Methods A randomized controlled trial will be conducted. Patients to be included suffer from non-inflammatory degenerative joint disease of the hip, are aged between 18 and 80 and are admitted for primary cementless unilateral total hip arthroplasty. Patients in the metal-on-metal group will receive a cementless titanium alloy acetabular component with a cobalt-chromium liner and a cobalt-chromium femoral head varying from 38 to 60 mm. Patients in the metal-on-polyethylene group will receive a cementless titanium alloy acetabular component with a polyethylene liner and a 28 mm cobalt-chromium femoral head. We will assess acetabular bone mineral density by dual energy x-ray absorptiometry (DEXA, serum ion concentrations of cobalt, chromium and titanium, self reported functional status (Oxford hip score, physician reported functional status and range of motion (Harris hip score, number of dislocations and prosthetic survival. Measurements will take place preoperatively, perioperatively, and postoperatively (6 weeks, 1 year, 5 years and 10 years. Discussion

Structural and Thermal Studies of ZnS and CdS Nanoparticles in Polymer Matrices

OpenAIRE

Osuntokun, Jejenija; Ajibade, Peter A.

2016-01-01

We report the synthesis and structural studies of ZnS and CdS nanoparticles in polyvinylpyrrolidone (PVP), poly(vinyl alcohol) (PVA), and poly(methyl methacrylate) (PMMA) matrices. The metal sulfides/polymer nanocomposites were characterized by X-ray diffraction (XRD), Fourier transform infrared spectroscopy, electronic spectroscopy (UV-Vis), transmission electron microscopy (TEM), and thermogravimetric analysis (TGA). The particle sizes as calculated from the absorption spectra were in agree...

Time-dependent density functional calculation of the energy loss of antiprotons colliding with metallic nanoshells

International Nuclear Information System (INIS)

Quijada, M.; Borisov, A.G.; Muino, R.D.

2008-01-01

Time-dependent density functional theory is used to study the interaction between antiprotons and metallic nanoshells. The ground state electronic properties of the nanoshell are obtained in the jellium approximation. The energy lost by the antiproton during the collision is calculated and compared to that suffered by antiprotons traveling in metal clusters. The resulting energy loss per unit path length of material in thin nanoshells is larger than the corresponding quantity for clusters. It is shown that the collision process can be interpreted as the antiproton crossing of two nearly bi-dimensional independent metallic systems. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Skew-adjacency matrices of graphs

NARCIS (Netherlands)

Cavers, M.; Cioaba, S.M.; Fallat, S.; Gregory, D.A.; Haemers, W.H.; Kirkland, S.J.; McDonald, J.J.; Tsatsomeros, M.

2012-01-01

The spectra of the skew-adjacency matrices of a graph are considered as a possible way to distinguish adjacency cospectral graphs. This leads to the following topics: graphs whose skew-adjacency matrices are all cospectral; relations between the matchings polynomial of a graph and the characteristic

Evidence for top-heavy stellar initial mass functions with increasing density and decreasing metallicity

Science.gov (United States)

Marks, Michael; Kroupa, Pavel; Dabringhausen, Jörg; Pawlowski, Marcel S.

2012-05-01

Residual-gas expulsion after cluster formation has recently been shown to leave an imprint in the low-mass present-day stellar mass function (PDMF) which allowed the estimation of birth conditions of some Galactic globular clusters (GCs) such as mass, radius and star formation efficiency. We show that in order to explain their characteristics (masses, radii, metallicity and PDMF) their stellar initial mass function (IMF) must have been top heavy. It is found that the IMF is required to become more top heavy the lower the cluster metallicity and the larger the pre-GC cloud-core density are. The deduced trends are in qualitative agreement with theoretical expectation. The results are consistent with estimates of the shape of the high-mass end of the IMF in the Arches cluster, Westerlund 1, R136 and NGC 3603, as well as with the IMF independently constrained for ultra-compact dwarf galaxies (UCDs). The latter suggests that GCs and UCDs might have formed along the same channel or that UCDs formed via mergers of GCs. A Fundamental Plane is found which describes the variation of the IMF with density and metallicity of the pre-GC cloud cores. The implications for the evolution of galaxies and chemical enrichment over cosmological times are expected to be major.

Investigation of the metal binding site in methionine aminopeptidase by density functional theory

DEFF Research Database (Denmark)

Jørgensen, Anne Techau; Norrby, Per-Ola; Liljefors, Tommy

2002-01-01

All methionine aminopeptidases exhibit the same conserved metal binding site. The structure of this site with either Co2+ ions or Zn2+ ions was investigated using density functional theory. The calculations showed that the structure of the site was not influenced by the identity of the metal ions....... This was the case for both of the systems studied; one based on the X-ray structure of the human methionine aminopeptidase type 2 (hMetAP-2) and the other based on the X-ray structure of the E. coli methionine aminopeptidase type 1 (eMetAP-1). Another important structural issue is the identity of the bridging...

Metal-Organic Frameworks as Highly Active Electrocatalysts for High-Energy Density, Aqueous Zinc-Polyiodide Redox Flow Batteries.

Science.gov (United States)

Li, Bin; Liu, Jian; Nie, Zimin; Wang, Wei; Reed, David; Liu, Jun; McGrail, Pete; Sprenkle, Vincent

2016-07-13

The new aqueous zinc-polyiodide redox flow battery (RFB) system with highly soluble active materials as well as ambipolar and bifunctional designs demonstrated significantly enhanced energy density, which shows great potential to reduce RFB cost. However, the poor kinetic reversibility and electrochemical activity of the redox reaction of I3(-)/I(-) couples on graphite felts (GFs) electrode can result in low energy efficiency. Two nanoporous metal-organic frameworks (MOFs), MIL-125-NH2 and UiO-66-CH3, that have high surface areas when introduced to GF surfaces accelerated the I3(-)/I(-) redox reaction. The flow cell with MOF-modified GFs serving as a positive electrode showed higher energy efficiency than the pristine GFs; increases of about 6.4% and 2.7% occurred at the current density of 30 mA/cm(2) for MIL-125-NH2 and UiO-66-CH3, respectively. Moreover, UiO-66-CH3 is more promising due to its excellent chemical stability in the weakly acidic electrolyte. This letter highlights a way for MOFs to be used in the field of RFBs.

The invariant theory of matrices

CERN Document Server

Concini, Corrado De

2017-01-01

This book gives a unified, complete, and self-contained exposition of the main algebraic theorems of invariant theory for matrices in a characteristic free approach. More precisely, it contains the description of polynomial functions in several variables on the set of m\\times m matrices with coefficients in an infinite field or even the ring of integers, invariant under simultaneous conjugation. Following Hermann Weyl's classical approach, the ring of invariants is described by formulating and proving the first fundamental theorem that describes a set of generators in the ring of invariants, and the second fundamental theorem that describes relations between these generators. The authors study both the case of matrices over a field of characteristic 0 and the case of matrices over a field of positive characteristic. While the case of characteristic 0 can be treated following a classical approach, the case of positive characteristic (developed by Donkin and Zubkov) is much harder. A presentation of this case...

Influence of Electrolyte Modulus on the Local Current Density at a Dendrite Tip on a Lithium Metal Electrode

Energy Technology Data Exchange (ETDEWEB)

Harry, KJ; Higa, K; Srinivasan, V; Balsara, NP

2016-08-10

Understanding and controlling the electrochemical deposition of lithium is imperative for the safe use of rechargeable batteries with a lithium metal anode. Solid block copolymer electrolyte membranes are known to enhance the stability of lithium metal anodes by mechanically suppressing the formation of lithium protrusions during battery charging. Time-resolved hard X-ray microtomography was used to monitor the internal structure of a symmetric lithium-polymer cell during galvanostatic polarization. The microtomography images were used to determine the local rate of lithium deposition, i.e. local current density, in the vicinity of a lithium globule growing through the electrolyte. Measurements of electrolyte displacement enabled estimation of local stresses in the electrolyte. At early times, the current density was maximized at the globule tip, as expected from simple current distribution arguments. At later times, the current density was maximized at the globule perimeter. We show that this phenomenon is related to the local stress fields that arise as the electrolyte is deformed. The local current density, normalized for the radius of curvature, decreases with increasing compressive stresses at the lithium-polymer interface. To our knowledge, our study provides the first direct measurement showing the influence of local mechanical stresses on the deposition kinetics at lithium metal electrodes.

Exact Inverse Matrices of Fermat and Mersenne Circulant Matrix

Directory of Open Access Journals (Sweden)

Yanpeng Zheng

2015-01-01

Full Text Available The well known circulant matrices are applied to solve networked systems. In this paper, circulant and left circulant matrices with the Fermat and Mersenne numbers are considered. The nonsingularity of these special matrices is discussed. Meanwhile, the exact determinants and inverse matrices of these special matrices are presented.

Enhancing Understanding of Transformation Matrices

Science.gov (United States)

Dick, Jonathan; Childrey, Maria

2012-01-01

With the Common Core State Standards' emphasis on transformations, teachers need a variety of approaches to increase student understanding. Teaching matrix transformations by focusing on row vectors gives students tools to create matrices to perform transformations. This empowerment opens many doors: Students are able to create the matrices for…

Structural properties of metal-organic frameworks within the density-functional based tight-binding method

Energy Technology Data Exchange (ETDEWEB)

Lukose, Binit; Supronowicz, Barbara; Kuc, Agnieszka B.; Heine, Thomas [School of Engineering and Science, Jacobs University Bremen (Germany); Petkov, Petko S.; Vayssilov, Georgi N. [Faculty of Chemistry, University of Sofia (Bulgaria); Frenzel, Johannes [Lehrstuhl fuer Theoretische Chemie, Ruhr-Universitaet Bochum (Germany); Seifert, Gotthard [Physikalische Chemie, Technische Universitaet Dresden (Germany)

2012-02-15

Density-functional based tight-binding (DFTB) is a powerful method to describe large molecules and materials. Metal-organic frameworks (MOFs), materials with interesting catalytic properties and with very large surface areas, have been developed and have become commercially available. Unit cells of MOFs typically include hundreds of atoms, which make the application of standard density-functional methods computationally very expensive, sometimes even unfeasible. The aim of this paper is to prepare and to validate the self-consistent charge-DFTB (SCC-DFTB) method for MOFs containing Cu, Zn, and Al metal centers. The method has been validated against full hybrid density-functional calculations for model clusters, against gradient corrected density-functional calculations for supercells, and against experiment. Moreover, the modular concept of MOF chemistry has been discussed on the basis of their electronic properties. We concentrate on MOFs comprising three common connector units: copper paddlewheels (HKUST-1), zinc oxide Zn{sub 4}O tetrahedron (MOF-5, MOF-177, DUT-6 (MOF-205)), and aluminum oxide AlO{sub 4}(OH){sub 2} octahedron (MIL-53). We show that SCC-DFTB predicts structural parameters with a very good accuracy (with less than 5% deviation, even for adsorbed CO and H{sub 2}O on HKUST-1), while adsorption energies differ by 12 kJ mol{sup -1} or less for CO and water compared to DFT benchmark calculations. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Fabrication of Metallic Fuel Slugs for Irradiation Experiments in Fast Breeder Test Reactor

International Nuclear Information System (INIS)

Saify, M.T.; Jha, S.K.; Abdulla, K.K.; Kumar, Arun; Prasad, G.J.

2013-01-01

Advantages of Metallic fuels for future FBR: → High heavy metal atom density; → Higher thermal conductivity at room temperature that increases with temperature; → Metal fuels can be relatively easily fabricated with close dimensional tolerances; → They have excellent compatibility with liquid metal coolants

Spectrographic determination of impurities in ammonium hydrogen fluoride samples. II. Study of the behaviour of the added matrices; Determinacion espectrografica de impurezas en bibluoruro amonico. II. Estudio del comportamiento de las matrices adicionadas

Energy Technology Data Exchange (ETDEWEB)

Alduan, F. A.; Roca, M.; Capdevila, C.

1979-07-01

In order to account for the variations In the shape of the excitation-volatilization' curves and the values of the line intensities of the different impurities determined in ammonium bifluoride, the behaviour of the added matrices (graphite, 63203, GeO{sub 2}, MgO and ZnO) has been considered. With this aim the influence of the added matrices on the are discharge parameters (temperature and electronic concentration) and on the exhaustion rate of the electrode load as a function of the excitation time has been studied. On the other hand, the curve of variation of the line intensity of the metallic component of each matrix versus time has been obtained and the residues in the electrode cavity have been investigated by X-ray powder diffraction. (Author) 7 refs.

Spectrographic determination of impurities in ammonium hydrogen fluoride samples. II. Study of the behaviour of the added matrices; Determinacion espectrografica de impurezas en bibluoruro amonico. II. Estudio del comportamiento de las matrices adicionadas

Energy Technology Data Exchange (ETDEWEB)

Alduan, F A; Roca, M; Capdevila, C

1979-07-01

In order to account for the variations In the shape of the excitation-volatilization' curves and the values of the line intensities of the different impurities determined in ammonium bifluoride, the behaviour of the added matrices (graphite, 63203, GeO{sub 2}, MgO and ZnO) has been considered. With this aim the influence of the added matrices on the are discharge parameters (temperature and electronic concentration) and on the exhaustion rate of the electrode load as a function of the excitation time has been studied. On the other hand, the curve of variation of the line intensity of the metallic component of each matrix versus time has been obtained and the residues in the electrode cavity have been investigated by X-ray powder diffraction. (Author) 7 refs.

Analysis of the Nonlinear Density Wave Two-Phase Instability in a Steam Generator of 600MWe Liquid Metal Reactor

International Nuclear Information System (INIS)

Choi, Seok Ki; Kim, Seong O

2011-01-01

A 600 MWe demonstration reactor being developed at KAERI employs a once-through helically coiled steam generator. The helically coiled steam generator is compact and is efficient for heat transfer, however, it may suffer from the two-phase instability. It is well known that the density wave instability is the main source of instability among various types of instabilities in a helically coiled S/G in a LMR. In the present study a simple method for analysis of the density wave two phase instability in a liquid metal reactor S/G is proposed and the method is applied to the analysis of density wave instability in a S/G of 600MWe liquid metal reactor

Kohn–Sham exchange-correlation potentials from second-order reduced density matrices

Energy Technology Data Exchange (ETDEWEB)

Cuevas-Saavedra, Rogelio; Staroverov, Viktor N., E-mail: vstarove@uwo.ca [Department of Chemistry, The University of Western Ontario, London, Ontario N6A 5B7 (Canada); Ayers, Paul W. [Department of Chemistry and Chemical Biology, McMaster University, Hamilton, Ontario L8S 4M1 (Canada)

2015-12-28

We describe a practical algorithm for constructing the Kohn–Sham exchange-correlation potential corresponding to a given second-order reduced density matrix. Unlike conventional Kohn–Sham inversion methods in which such potentials are extracted from ground-state electron densities, the proposed technique delivers unambiguous results in finite basis sets. The approach can also be used to separate approximately the exchange and correlation potentials for a many-electron system for which the reduced density matrix is known. The algorithm is implemented for configuration-interaction wave functions and its performance is illustrated with numerical examples.

Bone mineral density and blood metals in premenopausal women

International Nuclear Information System (INIS)

Pollack, A.Z.; Mumford, S.L.; Wactawski-Wende, J.; Yeung, E.; Mendola, P.; Mattison, D.R.; Schisterman, E.F.

2013-01-01

Exposure to metals, specifically cadmium, lead, and mercury, is widespread and is associated with reduced bone mineral density (BMD) in older populations, but the associations among premenopausal women are unclear. Therefore, we evaluated the relationship between these metals in blood and BMD (whole body, total hip, lumbar spine, and non-dominant wrist) quantified by dual energy X-ray absorptiometry in 248 premenopausal women, aged 18–44. Participants were of normal body mass index (mean BMI 24.1), young (mean age 27.4), 60% were white, 20% non-Hispanic black, 15% Asian, and 6% other race group, and were from the Buffalo, New York region. The median (interquartile range) level of cadmium was 0.30 μg/l (0.19–0.43), of lead was 0.86 μg/dl (0.68–1.20), and of mercury was 1.10 μg/l (0.58–2.00). BMD was treated both as a continuous variable in linear regression and dichotomized at the 10th percentile for logistic regression analyses. Mercury was associated with reduced odds of decreased lumbar spine BMD (0.66, 95% confidence interval: 0.44, 0.99), but overall, metals at environmentally relevant levels of exposure were not associated with reduced BMD in this population of healthy, reproductive-aged women. Further research is needed to determine if the blood levels of cadmium, lead, and mercury in this population are sufficiently low that there is no substantive impact on bone, or if effects on bone can be expected only at older ages.

Bone mineral density and blood metals in premenopausal women

Energy Technology Data Exchange (ETDEWEB)

Pollack, A.Z., E-mail: pollacka@mail.nih.gov [Epidemiology Branch, Division of Epidemiology, Statistics, and Prevention Research, Eunice Kennedy Shriver National Institute of Child Health and Human Development, National Institutes of Health, Bethesda, MD (United States); Mumford, S.L. [Epidemiology Branch, Division of Epidemiology, Statistics, and Prevention Research, Eunice Kennedy Shriver National Institute of Child Health and Human Development, National Institutes of Health, Bethesda, MD (United States); Wactawski-Wende, J. [Department of Social and Preventive Medicine, University at Buffalo, State University of New York, Buffalo, NY (United States); Yeung, E.; Mendola, P.; Mattison, D.R.; Schisterman, E.F. [Epidemiology Branch, Division of Epidemiology, Statistics, and Prevention Research, Eunice Kennedy Shriver National Institute of Child Health and Human Development, National Institutes of Health, Bethesda, MD (United States)

2013-01-15

Exposure to metals, specifically cadmium, lead, and mercury, is widespread and is associated with reduced bone mineral density (BMD) in older populations, but the associations among premenopausal women are unclear. Therefore, we evaluated the relationship between these metals in blood and BMD (whole body, total hip, lumbar spine, and non-dominant wrist) quantified by dual energy X-ray absorptiometry in 248 premenopausal women, aged 18-44. Participants were of normal body mass index (mean BMI 24.1), young (mean age 27.4), 60% were white, 20% non-Hispanic black, 15% Asian, and 6% other race group, and were from the Buffalo, New York region. The median (interquartile range) level of cadmium was 0.30 {mu}g/l (0.19-0.43), of lead was 0.86 {mu}g/dl (0.68-1.20), and of mercury was 1.10 {mu}g/l (0.58-2.00). BMD was treated both as a continuous variable in linear regression and dichotomized at the 10th percentile for logistic regression analyses. Mercury was associated with reduced odds of decreased lumbar spine BMD (0.66, 95% confidence interval: 0.44, 0.99), but overall, metals at environmentally relevant levels of exposure were not associated with reduced BMD in this population of healthy, reproductive-aged women. Further research is needed to determine if the blood levels of cadmium, lead, and mercury in this population are sufficiently low that there is no substantive impact on bone, or if effects on bone can be expected only at older ages.

Group inverses of M-matrices and their applications

CERN Document Server

Kirkland, Stephen J

2013-01-01

Group inverses for singular M-matrices are useful tools not only in matrix analysis, but also in the analysis of stochastic processes, graph theory, electrical networks, and demographic models. Group Inverses of M-Matrices and Their Applications highlights the importance and utility of the group inverses of M-matrices in several application areas. After introducing sample problems associated with Leslie matrices and stochastic matrices, the authors develop the basic algebraic and spectral properties of the group inverse of a general matrix. They then derive formulas for derivatives of matrix f

Density-controllable nonvolatile memory devices having metal nanocrystals through chemical synthesis and assembled by spin-coating technique

International Nuclear Information System (INIS)

Wang Guangli; Chen Yubin; Shi Yi; Pu Lin; Pan Lijia; Zhang Rong; Zheng Youdou

2010-01-01

A novel two-step method is employed, for the first time, to fabricate nonvolatile memory devices that have metal nanocrystals. First, size-averaged Au nanocrystals are synthesized chemically; second, they are assembled into memory devices by a spin-coating technique at room temperature. This attractive approach makes it possible to tailor the diameter and control the density of nanocrystals individually. In addition, processes at room temperature prevent Au diffusion, which is a main concern for the application of metal nanocrystal-based memory. The experimental results, both the morphology characterization and the electrical measurements, reveal that there is an optimum density of nanocrystal monolayer to balance between long data retention and a large hysteresis memory window. At the same time, density-controllable devices could also feed the preferential emphasis on either memory window or retention time. All these facts confirm the advantages and novelty of our two-step method. (semiconductor devices)

In vivo biocompatibility of carbodiimide-crosslinked collagen matrices : Effects of crosslink density, heparin immobilization, and bFGF loading

NARCIS (Netherlands)

van Wachem, PB; Plantinga, JA; Wissink, MJB; Poot, AA; Engbers, GHM; Beugeling, T; van Aken, WG; Feijen, J; van Luyn, MJA

2001-01-01

Collagen matrices, crosslinked using N-(3-dimethylaminopropyl)-N'-ethylcarbodiimide (E) and N-hydroxvsuccinimide (N), were previously developed as a substrate for endothelial cell seeding of small-diameter vascular grafts. In the present study, the biocompatibility of various EN-crosslinked collagen

Metal-insulator transition in disordered systems from the one-body density matrix

DEFF Research Database (Denmark)

Olsen, Thomas; Resta, Raffaele; Souza, Ivo

2017-01-01

The insulating state of matter can be probed by means of a ground state geometrical marker, which is closely related to the modern theory of polarization (based on a Berry phase). In the present work we show that this marker can be applied to determine the metal-insulator transition in disordered...... the one-body density matrix. The approach has a general ab initio formulation and could in principle be applied to realistic disordered materials by standard electronic structure methods....... systems. In particular, for noninteracting systems the geometrical marker can be obtained from the configurational average of the norm-squared one-body density matrix, which can be calculated within open as well as periodic boundary conditions. This is in sharp contrast to a classification based...

"Rocking-Chair"-Type Metal Hybrid Supercapacitors.

Science.gov (United States)

Yoo, Hyun Deog; Han, Sang-Don; Bayliss, Ryan D; Gewirth, Andrew A; Genorio, Bostjan; Rajput, Nav Nidhi; Persson, Kristin A; Burrell, Anthony K; Cabana, Jordi

2016-11-16

Hybrid supercapacitors that follow a "rocking-chair"-type mechanism were developed by coupling divalent metal and activated carbon electrodes in nonaqueous electrolytes. Conventional supercapacitors require a large amount of electrolyte to provide a sufficient quantity of ions to the electrodes, due to their Daniell-type mechanism that depletes the ions from the electrolyte while charging. The alternative "rocking-chair"-type mechanism effectively enhances the energy density of supercapacitors by minimizing the necessary amount of electrolyte, because the ion is replenished from the metal anode while it is adsorbed to the cathode. Newly developed nonaqueous electrolytes for Mg and Zn electrochemistry, based on bis(trifluoromethylsulfonyl)imide (TFSI) salts, made the metal hybrid supercapacitors possible by enabling reversible deposition on the metal anodes and reversible adsorption on an activated carbon cathode. Factoring in gains through the cell design, the energy density of the metal hybrid supercapacitors is projected to be a factor of 7 higher than conventional devices thanks to both the "rocking-chair"-type mechanism that minimizes total electrolyte volume and the use of metal anodes, which have substantial merits in capacity and voltage. Self-discharge was also substantially alleviated compared to conventional supercapacitors. This concept offers a route to build supercapacitors that meet dual criteria of power and energy densities with a simple cell design.

Structures and Stability of Metal Amidoboranes (MAB): Density Functional Calculations

International Nuclear Information System (INIS)

Li Cailin; Wu Chaoling; Chen Yungui; Zhou Jingjing; Zheng Xin; Pang Lijuan; Deng Gang

2010-01-01

Molecule geometry structures, frequencies, and energetic stabilities of ammonia borane (AB, NH 3 BH 3 ) and metal amidoboranes (MAB, MNH 2 BH 3 ), formed by substituting H atom in AB with one of main group metal atoms, have been investigated by density-functional theory and optimized at the B3LYP levels with 6-311G++ (3df, 3pd) basic set. Their structural parameters and infrared spectrum characteristic peaks have been predicted, which should be the criterion of a successfully synthesized material. Several parameters such as binding energies, vibrational frequencies, and the energy gaps between the HOMO and the LUMO have been adopted to characterize and evaluate their structure stabilities. It is also found that the binding energies and HOMO-LUMO energy gaps of the MAB obviously change with the substitution of the atoms. MgAB has the lowest binding energy and is easier to decompose than any other substitutional structures under same conditions, while CaAB has the highest chemical activity. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

Inference for High-dimensional Differential Correlation Matrices.

Science.gov (United States)

Cai, T Tony; Zhang, Anru

2016-01-01

Motivated by differential co-expression analysis in genomics, we consider in this paper estimation and testing of high-dimensional differential correlation matrices. An adaptive thresholding procedure is introduced and theoretical guarantees are given. Minimax rate of convergence is established and the proposed estimator is shown to be adaptively rate-optimal over collections of paired correlation matrices with approximately sparse differences. Simulation results show that the procedure significantly outperforms two other natural methods that are based on separate estimation of the individual correlation matrices. The procedure is also illustrated through an analysis of a breast cancer dataset, which provides evidence at the gene co-expression level that several genes, of which a subset has been previously verified, are associated with the breast cancer. Hypothesis testing on the differential correlation matrices is also considered. A test, which is particularly well suited for testing against sparse alternatives, is introduced. In addition, other related problems, including estimation of a single sparse correlation matrix, estimation of the differential covariance matrices, and estimation of the differential cross-correlation matrices, are also discussed.

On the electron density localization in elemental cubic ceramic and FCC transition metals by means of a localized electrons detector.

Science.gov (United States)

Aray, Yosslen; Paredes, Ricardo; Álvarez, Luis Javier; Martiz, Alejandro

2017-06-14

The electron density localization in insulator and semiconductor elemental cubic materials with diamond structure, carbon, silicon, germanium, and tin, and good metallic conductors with face centered cubic structure such as α-Co, Ni, Cu, Rh, Pd, Ag, Ir, Pt, and Au, was studied using a localized electrons detector defined in the local moment representation. Our results clearly show an opposite pattern of the electron density localization for the cubic ceramic and transition metal materials. It was found that, for the elemental ceramic materials, the zone of low electron localization is very small and is mainly localized on the atomic basin edges. On the contrary, for the transition metals, there are low-valued localized electrons detector isocontours defining a zone of highly delocalized electrons that extends throughout the material. We have found that the best conductors are those in which the electron density at this low-value zone is the lowest.

Phenomenological mass matrices with a democratic warp

International Nuclear Information System (INIS)

Kleppe, A.

2018-01-01

Taking into account all available data on the mass sector, we obtain unitary rotation matrices that diagonalize the quark matrices by using a specific parametrization of the Cabibbo-Kobayashi-Maskawa mixing matrix. In this way, we find mass matrices for the up- and down-quark sectors of a specific, symmetric form, with traces of a democratic texture.

Effect of uniaxially pressing ordinary Portland cement pastes containing metal hydroxides on porosity, density, and leaching

International Nuclear Information System (INIS)

Cheeseman, C.R.; Asavapisit, S.; Knight, J.

1998-01-01

Synthetic metal hydroxide wastes containing Zn and Pb have been mixed with partially hydrated cement and uniaxially pressed. The effect on porosity, pore size distribution, and bulk and skeletal densities has been characterized using mercury intrusion porosimetry. Ca(OH) 2 formation has been determined using differential thermal analysis and metal leaching has been assessed in a series of static leach tests completed on monolithic samples. Pressed solidified materials have increased density, reduced porosity, and reduced Ca(OH) 2 . They exhibit increased resistance to acid attack in terms of sample weight loss during leaching due to reduced release of alkalis. Leaching of Zn and Pb is primarily determined by pH. A peak observed in Zn leaching from pressed samples is due to the effect of changing leachate pH on the dominant Zn species present

Cermet materials prepared by combustion synthesis and metal infiltration

Science.gov (United States)

Holt, Joseph B.; Dunmead, Stephen D.; Halverson, Danny C.; Landingham, Richard L.

1991-01-01

Ceramic-metal composites (cermets) are made by a combination of self-propagating high temperature combustion synthesis and molten metal infiltration. Solid-gas, solid-solid and solid-liquid reactions of a powder compact produce a porous ceramic body which is infiltrated by molten metal to produce a composite body of higher density. AlN-Al and many other materials can be produced.

Diagonalization of the mass matrices

International Nuclear Information System (INIS)

Rhee, S.S.

1984-01-01

It is possible to make 20 types of 3x3 mass matrices which are hermitian. We have obtained unitary matrices which could diagonalize each mass matrix. Since the three elements of mass matrix can be expressed in terms of the three eigenvalues, msub(i), we can also express the unitary matrix in terms of msub(i). (Author)

Review of laser produced multi-keV X-ray sources from metallic foils, cylinders with liner, and low density aerogels

Energy Technology Data Exchange (ETDEWEB)

Girard, Frédéric [CEA, DAM, DIF, F-91297 Arpajon (France)

2016-04-15

Experimental results obtained within the last fifteen years on multi-keV X-ray sources irradiated with nanosecond scale pulse duration 3ω laser light at TW power levels by CEA and collaborators are discussed in this review paper. Experiments were carried out on OMEGA and GEKKO XII laser facilities where emitting materials in the 5–10 keV multi-keV energy range are intermediate Z value metals from titanium to germanium. Results focused on conversion efficiency improvement by a factor of 2 when an underdense plasma is created using a laser pre-pulse on a metallic foil, which is then heated by a second laser pulse delayed in time. Metal coated inner surface walls of plastic cylindrical tube ablated by laser beam impacts showed that plasma confinement doubles X-ray emission duration as it gives adequate plasma conditions (electron temperature and density) over a long period of time. Low-density aerogels (doped with metal atoms uniformly distributed throughout their volume or metal oxides) contained in a plastic cylinder have been developed and their results are comparable to gas targets. A hybrid target concept consisting of a thin metal foil placed at the end of a cylinder filled with low density aerogel has emerged as it could collect benefits from pre-exploded thin foils, efficient laser absorption in aerogel, and confinement by cylinder walls. All target geometry performances are relatively close together at a given photon energy and mainly depend on laser irradiation condition optimizations. Results are compared with gas target performances from recent NIF experiments allowing high electron temperatures over large dimension low density plasmas, which are the principal parameters for efficient multi-keV X-ray production.

The construction of factorized S-matrices

International Nuclear Information System (INIS)

Chudnovsky, D.V.

1981-01-01

We study the relationships between factorized S-matrices given as representations of the Zamolodchikov algebra and exactly solvable models constructed using the Baxter method. Several new examples of symmetric and non-symmetric factorized S-matrices are proposed. (orig.)

Matrices in Engineering Problems

CERN Document Server

Tobias, Marvin

2011-01-01

This book is intended as an undergraduate text introducing matrix methods as they relate to engineering problems. It begins with the fundamentals of mathematics of matrices and determinants. Matrix inversion is discussed, with an introduction of the well known reduction methods. Equation sets are viewed as vector transformations, and the conditions of their solvability are explored. Orthogonal matrices are introduced with examples showing application to many problems requiring three dimensional thinking. The angular velocity matrix is shown to emerge from the differentiation of the 3-D orthogo

Effect of metal sulfide pulp density on gene expression of electron transporters in Acidithiobacillus sp. FJ2.

Science.gov (United States)

Fatemi, Faezeh; Miri, Saba; Jahani, Samaneh

2017-05-01

In Acidithiobacillus ferrooxidans, one of the most important bioleaching bacterial species, the proteins encoded by the rus operon are involved in the electron transfer from Fe 2+ to O 2 . To obtain further knowledge about the mechanism(s) involved in the adaptive responses of the bacteria to growth on the different uranium ore pulp densities, we analyzed the expression of the four genes from the rus operon by real-time PCR, when Acidithiobacillus sp. FJ2 was grown in the presence of different uranium concentrations. The uranium bioleaching results showed the inhibitory effects of the metal pulp densities on the oxidation activity of the bacteria which can affect Eh, pH, Fe oxidation and uranium extractions. Gene expression analysis indicated that Acidithiobacillus sp. FJ2 tries to survive in the stress with increasing in the expression levels of cyc2, cyc1, rus and coxB, but the metal toxicity has a negative effect on the gene expression in different pulp densities. These results indicated that Acidithiobacillus sp. FJ2 could leach the uranium even in high pulp density (50%) by modulation in rus operon gene responses.

A Brief Historical Introduction to Matrices and Their Applications

Science.gov (United States)

Debnath, L.

2014-01-01

This paper deals with the ancient origin of matrices, and the system of linear equations. Included are algebraic properties of matrices, determinants, linear transformations, and Cramer's Rule for solving the system of algebraic equations. Special attention is given to some special matrices, including matrices in graph theory and electrical…

Designing mixed metal halide ammines for ammonia storage using density functional theory and genetic algorithms.

Science.gov (United States)

Jensen, Peter Bjerre; Lysgaard, Steen; Quaade, Ulrich J; Vegge, Tejs

2014-09-28

Metal halide ammines have great potential as a future, high-density energy carrier in vehicles. So far known materials, e.g. Mg(NH3)6Cl2 and Sr(NH3)8Cl2, are not suitable for automotive, fuel cell applications, because the release of ammonia is a multi-step reaction, requiring too much heat to be supplied, making the total efficiency lower. Here, we apply density functional theory (DFT) calculations to predict new mixed metal halide ammines with improved storage capacities and the ability to release the stored ammonia in one step, at temperatures suitable for system integration with polymer electrolyte membrane fuel cells (PEMFC). We use genetic algorithms (GAs) to search for materials containing up to three different metals (alkaline-earth, 3d and 4d) and two different halides (Cl, Br and I) - almost 27,000 combinations, and have identified novel mixtures, with significantly improved storage capacities. The size of the search space and the chosen fitness function make it possible to verify that the found candidates are the best possible candidates in the search space, proving that the GA implementation is ideal for this kind of computational materials design, requiring calculations on less than two percent of the candidates to identify the global optimum.

Hypercyclic Abelian Semigroups of Matrices on Cn

International Nuclear Information System (INIS)

Ayadi, Adlene; Marzougui, Habib

2010-07-01

We give a complete characterization of existence of dense orbit for any abelian semigroup of matrices on C n . For finitely generated semigroups, this characterization is explicit and is used to determine the minimal number of matrices in normal form over C which forms a hypercyclic abelian semigroup on C n . In particular, we show that no abelian semigroup generated by n matrices on C n can be hypercyclic. (author)

Generalized Perron--Frobenius Theorem for Nonsquare Matrices

OpenAIRE

Avin, Chen; Borokhovich, Michael; Haddad, Yoram; Kantor, Erez; Lotker, Zvi; Parter, Merav; Peleg, David

2013-01-01

The celebrated Perron--Frobenius (PF) theorem is stated for irreducible nonnegative square matrices, and provides a simple characterization of their eigenvectors and eigenvalues. The importance of this theorem stems from the fact that eigenvalue problems on such matrices arise in many fields of science and engineering, including dynamical systems theory, economics, statistics and optimization. However, many real-life scenarios give rise to nonsquare matrices. A natural question is whether the...

Formal matrices

CERN Document Server

Krylov, Piotr

2017-01-01

This monograph is a comprehensive account of formal matrices, examining homological properties of modules over formal matrix rings and summarising the interplay between Morita contexts and K theory. While various special types of formal matrix rings have been studied for a long time from several points of view and appear in various textbooks, for instance to examine equivalences of module categories and to illustrate rings with one-sided non-symmetric properties, this particular class of rings has, so far, not been treated systematically. Exploring formal matrix rings of order 2 and introducing the notion of the determinant of a formal matrix over a commutative ring, this monograph further covers the Grothendieck and Whitehead groups of rings. Graduate students and researchers interested in ring theory, module theory and operator algebras will find this book particularly valuable. Containing numerous examples, Formal Matrices is a largely self-contained and accessible introduction to the topic, assuming a sol...

ESTIMATION OF FUNCTIONALS OF SPARSE COVARIANCE MATRICES.

Science.gov (United States)

Fan, Jianqing; Rigollet, Philippe; Wang, Weichen

High-dimensional statistical tests often ignore correlations to gain simplicity and stability leading to null distributions that depend on functionals of correlation matrices such as their Frobenius norm and other ℓ r norms. Motivated by the computation of critical values of such tests, we investigate the difficulty of estimation the functionals of sparse correlation matrices. Specifically, we show that simple plug-in procedures based on thresholded estimators of correlation matrices are sparsity-adaptive and minimax optimal over a large class of correlation matrices. Akin to previous results on functional estimation, the minimax rates exhibit an elbow phenomenon. Our results are further illustrated in simulated data as well as an empirical study of data arising in financial econometrics.

Generalisations of Fisher Matrices

Directory of Open Access Journals (Sweden)

Alan Heavens

2016-06-01

Full Text Available Fisher matrices play an important role in experimental design and in data analysis. Their primary role is to make predictions for the inference of model parameters—both their errors and covariances. In this short review, I outline a number of extensions to the simple Fisher matrix formalism, covering a number of recent developments in the field. These are: (a situations where the data (in the form of ( x , y pairs have errors in both x and y; (b modifications to parameter inference in the presence of systematic errors, or through fixing the values of some model parameters; (c Derivative Approximation for LIkelihoods (DALI - higher-order expansions of the likelihood surface, going beyond the Gaussian shape approximation; (d extensions of the Fisher-like formalism, to treat model selection problems with Bayesian evidence.

Reactions of metal-substituted myoglobins with excess electrons studied by pulse radiolysis and low-temperature gamma-radiolysis

International Nuclear Information System (INIS)

Miki, Hideho; Nakajima, Atushi; Ogasawara, Masaaki; Tamura, Mamoru

1990-01-01

Reactions of metal-substituted myoglobins with excess electrons in electron-pulse-irradiated aqueous solutions at room temperature and γ-irradiated aqueous matrices at 77 K were studied for the purpose of probing the functional role of heme iron. The rate constants for the reactions of various myoglobins with hydrated electrons were not much different from each other, and were close to those of diffusion-controlled reactions. In contrast, the reduction rates of myoglobins with dithionite depended markedly on the kind of central metals in the myoglobins. The difference was interpreted in terms of Marcus' theory for electron-transfer reactions. Effects of the 6-coordinate structure of the cobalt(III) species on the reaction with dithionite was also discussed. The steady-state optical-absorption measurements of γ-irradiated matrices containing cobaltimyoglobin at 77 K demonstrated the reduction of cobalt(III) species by excess electrons produced by the action of ionizing radiation. It was shown, by electron-spin resonance spectroscopy, that a 6-coordinated cobalt(II) species produced at 77 K transformed to a 5-coordinate one at higher temperatures, as reported previously. However, structural relaxation was not observed by optical spectroscopy either in the solutions or in the low-temperature matrices. It was concluded, therefore, that the intermediate 6-coordinate cobalt(II) species gave an optical absorption spectrum which was indistinguishable from that of the relaxed 5-coordinate cobalt(II) species. (author)

Paradoxical effects of density on measurement of copper tolerance in Silene paradoxa L.

Science.gov (United States)

Capuana, Maurizio; Colzi, Ilaria; Buccianti, Antonella; Coppi, Andrea; Palm, Emily; Del Bubba, Massimo; Gonnelli, Cristina

2018-01-01

This work investigated if the assessment of tolerance to trace metals can depend on plant density in the experimental design. A non-metallicolous and a metallicolous populations of Silene paradoxa were hydroponically cultivated at increasing density and in both the absence (-Cu conditions) and excess of copper (+Cu conditions). In -Cu conditions, the metallicolous population showed a lower susceptibility to plant density in comparison to the non-metallicolous one, explained by a higher capacity of the metallicolous population to exploit resources. In +Cu conditions, an alleviating effect of increasing density was found in roots. Such effect was present to a greater extent in the non-metallicolous population, thus making the populations equally copper-tolerant at the highest density used. In shoots, an additive effect of increasing plant density to copper toxicity was reported. Its higher intensity in the metallicolous population reverted the copper tolerance relationship at the highest plant densities used. In both populations, a density-induced decrease in root copper accumulation was observed, thus concurring to the reported mitigation in +Cu conditions. Our work revealed the importance of density studies on the optimization of eco-toxicological bioassays and of metal tolerance assessment and it can be considered the first example of an alleviating effect of increasing plant number on copper stress in a metallophyte.

Report on the scientific feasibility of new matrices for the conditioning of long lived radionuclides

International Nuclear Information System (INIS)

2001-01-01

New specific matrices for the conditioning of long lived radionuclides (I, Cs, Tc, minor actinides) have been developed. This report presents the conditions of their synthesis by sintering or melting and the quantifying of their crystallographic, physical and thermal properties. A 7% mass insertion of iodine can be reached with a phosphorus-vanadium-lead iodo-apatite. A 5% mass insertion of cesium is reached with the hollandite-type crystal structure (barium aluminate-titanate). An insertion level of at least 10% mass of rare earth oxides (simulating the presence of actinides) is reached for britholite, zirconolite, thorium phosphate, monazite, and zirconolite glass/ceramic materials. The chemical durability has been also determined. Enhanced aqueous corrosion resistance, 100 times better than for the glasses used today, are obtained for iodo-apatite (I), hollandite (Cs), britholite (actinides 3+/4+), thorium phosphate (actinides 4+) and monazite (3+/4+). The first elements of stability with respect to irradiation are reported for the minor actinide conditioning matrices. External post-irradiation examinations by heavy ion bombardment coupled to atomistic modeling have been performed. The characterization of self-irradiated natural analogues of britholite, zirconolite and monazite with more than 10 20 α/g disintegrations confirms the very long time stability of these mineral structures (>10 8 years). On the basis of the obtained results, it appears that the iodo-apatite, britholite, zirconolite, and thorium phosphate conditioning matrices have reached the stage of scientifical feasibility. The monazite matrice is on the way to reach the feasibility too. Other specific matrices for technetium (metal alloys) and cesium (hollandite) are also under development, but their long-term properties remain to be determined. (J.S.)

Advances in Metallic Fuels for High Burnup and Actinide Transmutation

Energy Technology Data Exchange (ETDEWEB)

Hayes, S. L.; Harp, J. M.; Chichester, H. J. M.; Fielding, R. S.; Mariani, R. D.; Carmack, W. J.

2016-10-01

Research and development activities on metallic fuels in the US are focused on their potential use for actinide transmutation in future sodium fast reactors. As part of this application, there is a desire to demonstrate a multifold increase in burnup potential. A number of metallic fuel design innovations are under investigation with a view toward significantly increasing the burnup potential of metallic fuels, since higher discharge burnups equate to lower potential actinide losses during recycle. Promising innovations under investigation include: 1) lowering the fuel smeared density in order to accommodate the additional swelling expected as burnups increase, 2) utilizing an annular fuel geometry for better geometrical stability at low smeared densities, as well as the potential to eliminate the need for a sodium bond, and 3) minor alloy additions to immobilize lanthanide fission products inside the metallic fuel matrix and prevent their transport to the cladding resulting in fuel-cladding chemical interaction. This paper presents results from these efforts to advance metallic fuel technology in support of high burnup and actinide transmutation objectives. Highlights include examples of fabrication of low smeared density annular metallic fuels, experiments to identify alloy additions effective in immobilizing lanthanide fission products, and early postirradiation examinations of annular metallic fuels having low smeared densities and palladium additions for fission product immobilization.

Biomaterial based novel polyurethane adhesives for wood to wood and metal to metal bonding

Directory of Open Access Journals (Sweden)

Mitesh Ramanlal Patel

2009-01-01

Full Text Available Polyurethane adhesives made from synthetic chemicals are non-biodegradable, costly and difficult to find raw materials from local market. To avoid solid pollution problem, cost effectiveness and easy availability of raw materials, biomaterials based polyurethane adhesives are used in current industrial interest. Direct use of castor oil in polyurethane adhesive gives limited hardness. Modification on active sites of castor oil to utilize double bond of unsaturated fatty acid and carboxyl group yields new modified or activated polyols, which can be utilized for polyurethane adhesive formulation. In view of this, we have synthesized polyurethane adhesives from polyester polyols, castor oil based polyols and epoxy based polyols with Isocyanate adducts based on castor oil and trimethylolpropane. To study the effects of polyurethane adhesive strength (i.e. lap shear strength on wood-to-wood and metal-to-metal bonding through various types of polyols, cross-linking density, isocyanate adducts and also to compare adhesive strength between wood to wood and metal to metal surface. These polyols and polyurethanes were characterized through GPC, NMR and IR-spectroscopy, gel and surface drying time. Thermal stability of PU adhesives was determined under the effect of cross-linking density (NCO/OH ratio. The NCO/OH ratio (1.5 was optimized for adhesives as the higher NCO/OH ratio (2.0 increasing cross-linking density and decreases adhesion. Lower NCO/OH ratio (1.0 provideslow cross-linking density and low strength of adhesives.

A new infiltration method for coating highly permeable matrices with compound materials for high-power isotope-separator-on-line production target applications

International Nuclear Information System (INIS)

Kawai, Y.; Bilheux, Jean-Christophe; Stracener, Daniel W; Alton, Gerald D

2005-01-01

A new infiltration coating method has been conceived for uniform and controlled thickness deposition of target materials onto highly permeable, complex-structure matrices to form short-diffusion-length isotope-separator-on-line (ISOL) production targets for radioactive ion beam research applications. In this report, the infiltration technique is described in detail and the universal character of the technique illustrated in the form of SEMs of several metal-carbide, metal-oxide and metal-sulfide targets for potential use at present or future radioactive ion beam research facilities

THE ALGORITHM AND PROGRAM OF M-MATRICES SEARCH AND STUDY

Directory of Open Access Journals (Sweden)

Y. N. Balonin

2013-05-01

Full Text Available The algorithm and software for search and study of orthogonal bases matrices – minimax matrices (M-matrix are considered. The algorithm scheme is shown, comments on calculation blocks are given, and interface of the MMatrix software system developed with participation of the authors is explained. The results of the universal algorithm work are presented as Hadamard matrices, Belevitch matrices (C-matrices, conference matrices and matrices of even and odd orders complementary and closely related to those ones by their properties, in particular, the matrix of the 22-th order for which there is no C-matrix. Examples of portraits for alternative matrices of the 255-th and the 257-th orders are given corresponding to the sequences of Mersenne and Fermat numbers. A new way to get Hadamard matrices is explained, different from the previously known procedures based on iterative processes and calculations of Lagrange symbols, with theoretical and practical meaning.

Copper ion implantation of polycarbonate matrices: Morphological and structural properties

Energy Technology Data Exchange (ETDEWEB)

Resta, V., E-mail: vincenzo.resta@le.infn.it; Quarta, G.; Maruccio, L.; Calcagnile, L.

2014-07-15

The implantation of 1 MeV {sup 63}Cu{sup +} ions in polycarbonate (PC) matrices has been carried out in order to evaluate the morphological and structural modifications induced in the polymer as a function of the ion fluence in the range 5 × 10{sup 13} ions cm{sup −2} to 1 × 10{sup 17} ions cm{sup −2}. Atomic Force Microscopy analysis reveals a significant roughness increase of the polymer surface only for fluences higher than 5 × 10{sup 16} ions cm{sup −2} with the presence of hillock structures which surface density increases with increasing the ion fluence. X-ray Diffraction measurements of PC implanted with fluences in the range between 5 × 10{sup 15} at cm{sup −2} and 5 × 10{sup 16} at cm{sup −2} reveal an increase of the disorder inside the PC matrix, as a consequence of the damaging process induced by the ion irradiation. Evidences about the presence of exotic phase structures ascribed to both cubic Cu{sub 2}O and cubic Cu have been found.

SUPERCRITICAL FLUID TREATMENT OF THREE-DIMENSIONAL HYDROGEL MATRICES, COMPOSED OF CHITOSAN DERIVATIVES

Directory of Open Access Journals (Sweden)

P. S. Timashev

2016-01-01

Full Text Available Aim. Controlled treatment of the physico-chemical and mechanical properties of a three-dimensional crosslinked matrix based on reactive chitosan. Materials and methods. The three-dimensional matrices were obtained using photosensitive composition based on allyl chitosan (5 wt%, poly(ethylene glycol diacrylate (8 wt% and the photoinitiator Irgacure 2959 (1 wt% by laser stereolithography setting. The kinetic swelling curves were constructed for structures in the base and salt forms of chitosan using gravimetric method and the contact angles were measured using droplet spreading. The supercritical fl uid setting (40 °C, 12 MPa was used to process matrices during 1.5 hours. Using nanohardness Piuma Nanoindenter we calculated values of Young’s modulus. The study of cytotoxicity was performed by direct contact with the culture of the NIH 3T3 mouse fi broblast cell line. Results. Architectonics of matrices fully repeats the program model. Matrices are uniform throughout and retain their shape after being transferred to the base form. Matrices compressed by 5% after treatment in supercritical carbon dioxide (scCO2 . The elastic modulus of matrices after scCO2 treatment is 4 times higher than the original matrix. The kinetic swelling curves have similar form. In this case the maximum degree of swelling for matrices in base form is 2–2.5 times greater than that of matrices in salt form. There was a surface hydrophobization after the material was transferred to the base form: the contact angle is 94°, and for the salt form it is 66°. The basic form absorbs liquid approximately 1.6 times faster. The fi lm thickness was increased in the area of contact with the liquid droplets after absorption by 133 and 87% for the base and the salt forms, respectively. Treatment of samples in scCO2 reduces their cytotoxicity from 2 degree of reaction (initial samples down to 1 degree of reaction. Conclusion. The use of supercritical carbon dioxide for scaffolds

Electrospun composite matrices of poly(ε-caprolactone)-montmorillonite made using tenside free Pickering emulsions

International Nuclear Information System (INIS)

Samanta, Archana; Takkar, Sonam; Kulshreshtha, Ritu; Nandan, Bhanu; Srivastava, Rajiv K.

2016-01-01

The production of composite electrospun matrices of poly(ε-caprolactone) (PCL) using an emulsifier-free emulsion, made with minimal organic solvent, as precursor is reported. Pickering emulsions of PCL were prepared using modified montmorillonite (MMT) clay as the stabilizer. Hydrophobic tallow group of the modified MMT clay resulted in analogous interaction of clay with oil and aqueous phase and its adsorption at the interface to provide stability to the resultant emulsion. Composite fibrous matrices of PCL and MMT were produced using electrospinning under controlled conditions. The fiber fineness was found to alter with PCL concentration and volume fraction of the aqueous and oil phases. A higher tensile strength and modulus was obtained with inclusion of MMT in PCL electrospun matrix in comparison to a matrix made using neat PCL. The presence of clay in the fibrous matrix did not change the cell proliferation efficiency in comparison to neat PCL matrix. Composite fibrous matrices of PCL/MMT bearing enhanced tensile properties may find applications in areas other than tissue engineering for example food packaging and filtration. - Highlights: • Tenside free, clay stabilized Pickering emulsion of PCL is made with minimal organic solvent. • Organic–inorganic composite fibrous matrices were produced via emulsion electrospinning. • Fiber fineness was efficiently controlled by variation in emulsion formulation. • Fibrous matrices of high tensile strength and modulus were obtained in comparison to neat PCL matrix. • PCL/clay matrices showed effective cell proliferation as a neat PCL matrix.

Electrospun composite matrices of poly(ε-caprolactone)-montmorillonite made using tenside free Pickering emulsions

Energy Technology Data Exchange (ETDEWEB)

Samanta, Archana [Department of Textile Technology, Indian Institute of Technology Delhi, Hauz Khas, New Delhi 110016 (India); Takkar, Sonam; Kulshreshtha, Ritu [Department of Biochemical Engineering and Biotechnology, Indian Institute of Technology Delhi, Hauz Khas, New Delhi 110016 (India); Nandan, Bhanu [Department of Textile Technology, Indian Institute of Technology Delhi, Hauz Khas, New Delhi 110016 (India); Srivastava, Rajiv K., E-mail: rajiv@textile.iitd.ac.in [Department of Textile Technology, Indian Institute of Technology Delhi, Hauz Khas, New Delhi 110016 (India)

2016-12-01

The production of composite electrospun matrices of poly(ε-caprolactone) (PCL) using an emulsifier-free emulsion, made with minimal organic solvent, as precursor is reported. Pickering emulsions of PCL were prepared using modified montmorillonite (MMT) clay as the stabilizer. Hydrophobic tallow group of the modified MMT clay resulted in analogous interaction of clay with oil and aqueous phase and its adsorption at the interface to provide stability to the resultant emulsion. Composite fibrous matrices of PCL and MMT were produced using electrospinning under controlled conditions. The fiber fineness was found to alter with PCL concentration and volume fraction of the aqueous and oil phases. A higher tensile strength and modulus was obtained with inclusion of MMT in PCL electrospun matrix in comparison to a matrix made using neat PCL. The presence of clay in the fibrous matrix did not change the cell proliferation efficiency in comparison to neat PCL matrix. Composite fibrous matrices of PCL/MMT bearing enhanced tensile properties may find applications in areas other than tissue engineering for example food packaging and filtration. - Highlights: • Tenside free, clay stabilized Pickering emulsion of PCL is made with minimal organic solvent. • Organic–inorganic composite fibrous matrices were produced via emulsion electrospinning. • Fiber fineness was efficiently controlled by variation in emulsion formulation. • Fibrous matrices of high tensile strength and modulus were obtained in comparison to neat PCL matrix. • PCL/clay matrices showed effective cell proliferation as a neat PCL matrix.

The modified Gauss diagonalization of polynomial matrices

International Nuclear Information System (INIS)

Saeed, K.

1982-10-01

The Gauss algorithm for diagonalization of constant matrices is modified for application to polynomial matrices. Due to this modification the diagonal elements become pure polynomials rather than rational functions. (author)

Quantum Hilbert matrices and orthogonal polynomials

DEFF Research Database (Denmark)

Andersen, Jørgen Ellegaard; Berg, Christian

2009-01-01

Using the notion of quantum integers associated with a complex number q≠0 , we define the quantum Hilbert matrix and various extensions. They are Hankel matrices corresponding to certain little q -Jacobi polynomials when |q|<1 , and for the special value they are closely related to Hankel matrice...

Discrete canonical transforms that are Hadamard matrices

International Nuclear Information System (INIS)

Healy, John J; Wolf, Kurt Bernardo

2011-01-01

The group Sp(2,R) of symplectic linear canonical transformations has an integral kernel which has quadratic and linear phases, and which is realized by the geometric paraxial optical model. The discrete counterpart of this model is a finite Hamiltonian system that acts on N-point signals through N x N matrices whose elements also have a constant absolute value, although they do not form a representation of that group. Those matrices that are also unitary are Hadamard matrices. We investigate the manifolds of these N x N matrices under the Sp(2,R) equivalence imposed by the model, and find them to be on two-sided cosets. By means of an algorithm we determine representatives that lead to collections of mutually unbiased bases.

Fractional equivalent Lagrangian densities for a fractional higher-order equation

International Nuclear Information System (INIS)

Fujioka, J

2014-01-01

In this communication we show that the equivalent Lagrangian densities (ELDs) of a fractional higher-order nonlinear Schrödinger equation with stable soliton-like solutions can be related in a hitherto unknown way. This new relationship is described in terms of a new fractional operator that includes both left- and right-sided fractional derivatives. Using this operator it is possible to generate new ELDs that contain different fractional parts, in addition to the already known ELDs, which only differ by a sum of first-order partial derivatives of two arbitrary functions. (fast track communications)

Abel-grassmann's groupoids of modulo matrices

International Nuclear Information System (INIS)

Javaid, Q.; Awan, M.D.; Naqvi, S.H.A.

2016-01-01

The binary operation of usual addition is associative in all matrices over R. However, a binary operation of addition in matrices over Z/sub n/ of a nonassociative structures of AG-groupoids and AG-groups are defined and investigated here. It is shown that both these structures exist for every integer n >≥ 3. Various properties of these structures are explored like: (i) Every AG-groupoid of matrices over Z/sub n/ is transitively commutative AG-groupoid and is a cancellative AG-groupoid if n is prime. (ii) Every AG-groupoid of matrices over Z/sub n/ of Type-II is a T/sup 3/-AG-groupoid. (iii) An AG-groupoid of matrices over Z/sub n/ ; G /sub nAG/(t,u), is an AG-band, if t+u=1(mod n). (author)

Comparison of properties of silver-metal oxide electrical contact materials

Directory of Open Access Journals (Sweden)

Ćosović V.

2012-01-01

Full Text Available Changes in physical properties such as density, porosity, hardness and electrical conductivity of the Ag-SnO2 and Ag-SnO2In2O3 electrical contact materials induced by introduction of metal oxide nanoparticles were investigated. Properties of the obtained silver-metal oxide nanoparticle composites are discussed and presented in comparison to their counterparts with the micro metal oxide particles as well as comparable Ag-SnO2WO3 and Ag-ZnO contact materials. Studied silvermetal oxide composites were produced by powder metallurgy method from very fine pure silver and micro- and nanoparticle metal oxide powders. Very uniform microstructures were obtained for all investigated composites and they exhibited physical properties that are comparable with relevant properties of equivalent commercial silver based electrical contact materials. Both Ag-SnO2 and Ag- SnO2In2O3 composites with metal oxide nanoparticles were found to have lower porosity, higher density and hardness than their respective counterparts which can be attributed to better dispersion hardening i.e. higher degree of dispersion of metal oxide in silver matrix.

Calculation of induced current densities and specific absorption rates (SAR) for pregnant women exposed to hand-held metal detectors

International Nuclear Information System (INIS)

Kainz, Wolfgang; Chan, Dulciana D; Casamento, Jon P; Bassen, Howard I

2003-01-01

The finite difference time domain (FDTD) method in combination with a well established frequency scaling method was used to calculate the internal fields and current densities induced in a simple model of a pregnant woman and her foetus, when exposed to hand-held metal detectors. The pregnant woman and foetus were modelled using a simple semi-heterogeneous model in 10 mm resolution, consisting of three different types of tissue. The model is based on the scanned shape of a pregnant woman in the 34th gestational week. Nine different representative models of hand-held metal detectors operating in the frequency range from 8 kHz to 2 MHz were evaluated. The metal detectors were placed directly on the abdomen of the computational model with a spacing of 1 cm. Both the induced current density and the specific absorption rate (SAR) are well below the recommended limits for exposure of the general public published in the ICNIRP Guidelines and the IEEE C95.1 Standard. The highest current density is 8.3 mA m -2 and the highest SAR is 26.5 μW kg -1 . Compared to the limits for the induced current density recommended in the ICNIRP Guidelines, a minimum safety factor of 3 exists. Compared to the IEEE C95.1 Standard, a safety factor of 60,000 for the specific absorption rate was found. Based on the very low specific absorption rate and an induced current density below the recommended exposure limits, significant temperature rise or nerve stimulation in the pregnant woman or in the foetus can be excluded

Free probability and random matrices

CERN Document Server

Mingo, James A

2017-01-01

This volume opens the world of free probability to a wide variety of readers. From its roots in the theory of operator algebras, free probability has intertwined with non-crossing partitions, random matrices, applications in wireless communications, representation theory of large groups, quantum groups, the invariant subspace problem, large deviations, subfactors, and beyond. This book puts a special emphasis on the relation of free probability to random matrices, but also touches upon the operator algebraic, combinatorial, and analytic aspects of the theory. The book serves as a combination textbook/research monograph, with self-contained chapters, exercises scattered throughout the text, and coverage of important ongoing progress of the theory. It will appeal to graduate students and all mathematicians interested in random matrices and free probability from the point of view of operator algebras, combinatorics, analytic functions, or applications in engineering and statistical physics.

Extrusion induced low-order starch matrices: Enzymic hydrolysis and structure.

Science.gov (United States)

Zhang, Bin; Dhital, Sushil; Flanagan, Bernadine M; Luckman, Paul; Halley, Peter J; Gidley, Michael J

2015-12-10

Waxy, normal and highwaymen maize starches were extruded with water as sole plasticizer to achieve low-order starch matrices. Of the three starches, we found that only high-amylose extrudate showed lower digestion rate/extent than starches cooked in excess water. The ordered structure of high-amylose starches in cooked and extruded forms was similar, as judged by NMR, XRD and DSC techniques, but enzyme resistance was much greater for extruded forms. Size exclusion chromatography suggested that longer chains were involved in enzyme resistance. We propose that the local molecular density of packing of amylose chains can control the digestion kinetics rather than just crystallinity, with the principle being that density sufficient to either prevent/limit binding and/or slow down catalysis can be achieved by dense amorphous packing. Copyright © 2015 Elsevier Ltd. All rights reserved.

Quantum matrices in two dimensions

International Nuclear Information System (INIS)

Ewen, H.; Ogievetsky, O.; Wess, J.

1991-01-01

Quantum matrices in two-dimensions, admitting left and right quantum spaces, are classified: they fall into two families, the 2-parametric family GL p,q (2) and a 1-parametric family GL α J (2). Phenomena previously found for GL p,q (2) hold in this general situation: (a) powers of quantum matrices are again quantum and (b) entries of the logarithm of a two-dimensional quantum matrix form a Lie algebra. (orig.)

Influence of size and volume fraction of SiC particulates on properties of ex situ reinforced Al-4.5Cu-3Mg metal matrix composite prepared by direct metal laser sintering process

Energy Technology Data Exchange (ETDEWEB)

Ghosh, Subrata Kumar [Department of Mechanical Engineering, Indian Institute of Technology Kharagpur, Midnapore (West), Kharagpur 721302, West Bengal (India); Saha, Partha, E-mail: psaha@mech.iitkgp.ernet.in [Department of Mechanical Engineering, Indian Institute of Technology Kharagpur, Midnapore (West), Kharagpur 721302, West Bengal (India); Kishore, Shyam [Department of Mechanical Engineering, Indian Institute of Technology Kharagpur, Midnapore (West), Kharagpur 721302, West Bengal (India)

2010-07-15

Direct metal laser sintering (DMLS) process has a great potential to prepare metal matrix composites (MMCs) in fabrication of arbitrary shaped jobs through rapid manufacturing. In the present work, silicon carbide particulates reinforced aluminium based metal matrix composite was developed by direct metal laser sintering process. Influences of SiC particulate (SiCp) on density, porosity and microhardness of the composite were investigated. It shows that SiCp having 300 mesh size provides higher density and lower porosity because of lower clustering effect. Higher microhardness was achieved at 1200 mesh of reinforcement because of lower grain size. Microhardness increases with increase of volume fraction of SiCp and higher value was achieved at high reinforcement content of 30 vol.%. Microstructure was studied through scanning electron microscopy (SEM) and X-ray elemental mapping. Interfacial microstructure was also investigated and cracks were found in number of cases due to difference between co-efficient of thermal expansion of matrix alloy and SiCp.

Influence of size and volume fraction of SiC particulates on properties of ex situ reinforced Al-4.5Cu-3Mg metal matrix composite prepared by direct metal laser sintering process

International Nuclear Information System (INIS)

Ghosh, Subrata Kumar; Saha, Partha; Kishore, Shyam

2010-01-01

Direct metal laser sintering (DMLS) process has a great potential to prepare metal matrix composites (MMCs) in fabrication of arbitrary shaped jobs through rapid manufacturing. In the present work, silicon carbide particulates reinforced aluminium based metal matrix composite was developed by direct metal laser sintering process. Influences of SiC particulate (SiCp) on density, porosity and microhardness of the composite were investigated. It shows that SiCp having 300 mesh size provides higher density and lower porosity because of lower clustering effect. Higher microhardness was achieved at 1200 mesh of reinforcement because of lower grain size. Microhardness increases with increase of volume fraction of SiCp and higher value was achieved at high reinforcement content of 30 vol.%. Microstructure was studied through scanning electron microscopy (SEM) and X-ray elemental mapping. Interfacial microstructure was also investigated and cracks were found in number of cases due to difference between co-efficient of thermal expansion of matrix alloy and SiCp.

Synchronous correlation matrices and Connes’ embedding conjecture

Energy Technology Data Exchange (ETDEWEB)

Dykema, Kenneth J., E-mail: kdykema@math.tamu.edu [Department of Mathematics, Texas A& M University, College Station, Texas 77843-3368 (United States); Paulsen, Vern, E-mail: vern@math.uh.edu [Department of Mathematics, University of Houston, Houston, Texas 77204 (United States)

2016-01-15

In the work of Paulsen et al. [J. Funct. Anal. (in press); preprint arXiv:1407.6918], the concept of synchronous quantum correlation matrices was introduced and these were shown to correspond to traces on certain C*-algebras. In particular, synchronous correlation matrices arose in their study of various versions of quantum chromatic numbers of graphs and other quantum versions of graph theoretic parameters. In this paper, we develop these ideas further, focusing on the relations between synchronous correlation matrices and microstates. We prove that Connes’ embedding conjecture is equivalent to the equality of two families of synchronous quantum correlation matrices. We prove that if Connes’ embedding conjecture has a positive answer, then the tracial rank and projective rank are equal for every graph. We then apply these results to more general non-local games.

Holographic metal-insulator transition in higher derivative gravity

Energy Technology Data Exchange (ETDEWEB)

Ling, Yi, E-mail: lingy@ihep.ac.cn [Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049 (China); Shanghai Key Laboratory of High Temperature Superconductors, Shanghai, 200444 (China); Liu, Peng, E-mail: liup51@ihep.ac.cn [Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049 (China); Wu, Jian-Pin, E-mail: jianpinwu@mail.bnu.edu.cn [Institute of Gravitation and Cosmology, Department of Physics, School of Mathematics and Physics, Bohai University, Jinzhou 121013 (China); Shanghai Key Laboratory of High Temperature Superconductors, Shanghai, 200444 (China); Zhou, Zhenhua, E-mail: zhouzh@ihep.ac.cn [Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049 (China)

2017-03-10

We introduce a Weyl term into the Einstein–Maxwell-Axion theory in four dimensional spacetime. Up to the first order of the Weyl coupling parameter γ, we construct charged black brane solutions without translational invariance in a perturbative manner. Among all the holographic frameworks involving higher derivative gravity, we are the first to obtain metal-insulator transitions (MIT) when varying the system parameters at zero temperature. Furthermore, we study the holographic entanglement entropy (HEE) of strip geometry in this model and find that the second order derivative of HEE with respect to the axion parameter exhibits maximization behavior near quantum critical points (QCPs) of MIT. It testifies the conjecture in that HEE itself or its derivatives can be used to diagnose quantum phase transition (QPT).

Realm of Matrices

Indian Academy of Sciences (India)

IAS Admin

harmonic analysis and complex analysis, in ... gebra describes not only the study of linear transforma- tions and .... special case of the Jordan canonical form of matrices. ..... Richard Bronson, Schaum's Outline Series Theory And Problems Of.

Virial expansion for almost diagonal random matrices

Science.gov (United States)

Yevtushenko, Oleg; Kravtsov, Vladimir E.

2003-08-01

Energy level statistics of Hermitian random matrices hat H with Gaussian independent random entries Higeqj is studied for a generic ensemble of almost diagonal random matrices with langle|Hii|2rangle ~ 1 and langle|Hi\

Measurement of loose powder density

International Nuclear Information System (INIS)

Akhtar, S.; Ali, A.; Haider, A.; Farooque, M.

2011-01-01

Powder metallurgy is a conventional technique for making engineering articles from powders. Main objective is to produce final products with the highest possible uniform density, which depends on the initial loose powder characteristics. Producing, handling, characterizing and compacting materials in loose powder form are part of the manufacturing processes. Density of loose metallic or ceramic powder is an important parameter for die design. Loose powder density is required for calculating the exact mass of powder to fill the die cavity for producing intended green density of the powder compact. To fulfill this requirement of powder metallurgical processing, a loose powder density meter as per ASTM standards is designed and fabricated for measurement of density. The density of free flowing metallic powders can be determined using Hall flow meter funnel and density cup of 25 cm/sup 3/ volume. Density of metal powders like cobalt, manganese, spherical bronze and pure iron is measured and results are obtained with 99.9% accuracy. (author)

Theoretical calculations of L alpha one x-ray emission intensity ratios for uranium in various matrices: a comparison with experimental values

International Nuclear Information System (INIS)

Anderson, L.D.

1976-01-01

The U L/sub α1/ x-ray emission intensity ratios (I/sub lambda/sub L//I sub lambda/sub L/, sub 100 percent/sub UO 2 /) in various matrices were calculated using the fundamental parameters formula of Criss and Birks and mass absorption coefficients calculated from a formula developed by Dewey. The use of the intensity ratio made it unnecessary to know the fluorescence yield for the U L/sub III/ level, the probability of emission of the U L/sub α1/ line, and the jump ratios for the three absorption edges of uranium. Also, since an intensity ratio was used, the results are independent of the x-ray tube current and the spectral distribution of the x-ray tube. A method is presented to calculate the intensity ratios for x-ray tube voltages other than the value (45 kV) used in the calculations. The theoretical results are calculated and compared with the experimental results obtained for 141 matrices. Difficulties due to oxidation of some of the metal powders used in the sample preparation, to small concentrations of uranium, and to an excessively large number of elements present in some of the samples resulted in the invalidation of the experimental results for 91 of the matrices. For the remaining 50 matrices, the theoretical and experimental values agreed to within +-5 percent relative error for 36 matrices; to within +-5 percent to +- 10 percent for 7 matrices; to within +-10 percent to +-20 percent for 6 matrices; and was greater than +-20 percent for 1 matrix

Density functional theory study of structure, electronic and magnetic ...

Indian Academy of Sciences (India)

ABHIJIT DUTTA

2018-01-30

Jan 30, 2018 ... magnetic properties of non-metal (Group 13) doped stable. Rhn(n = 2−8) ... Deformed electron density was found to be higher in the case of Rh5B, Rh4Al, Rh7Al and ...... systems: Modeling of surface alloys and alloy surfaces.

Metallic Glasses as Potential Reinforcements in Al and Mg Matrices: A Review

Directory of Open Access Journals (Sweden)

S. Jayalakshmi

2018-04-01

Full Text Available Development of metal matrix composites (MMCs with metallic glass/amorphous alloy reinforcements is an emerging research field. As reinforcements, metallic glasses with their high strength (up to ~2 GPa and high elastic strain limit (~2% can provide superior mechanical properties. Being metallic in nature, the glassy alloys can ensure better interfacial properties when compared to conventional ceramic reinforcements. Given the metastable nature of metallic glasses, lightweight materials such as aluminum (Al and magnesium (Mg with relatively lower melting points are suitable matrix materials. Synthesis of these advanced composites is a challenge as selection of processing method and appropriate reinforcement type (which does not allow devitrification of the metallic glass during processing is important. Non-conventional techniques such as high frequency induction sintering, bidirectional microwave sintering, friction stir processing, accumulative roll-bonding, and spark plasma sintering are being explored to produce these novel materials. In this paper, an overview on the synthesis and properties of aluminum and magnesium based composites with glassy reinforcement produced by various unconventional methods is presented. Evaluation of properties of the produced composites indicate: (i retention of amorphous state of the reinforcement after processing; (ii significant improvement in hardness and strength; (iii improvement/retention of ductility; and (iv high wear resistance and low coefficient of friction. Further, a comparative understanding of the properties highlights that the selection of the processing method is important in producing high performance composites.

Chequered surfaces and complex matrices

International Nuclear Information System (INIS)

Morris, T.R.; Southampton Univ.

1991-01-01

We investigate a large-N matrix model involving general complex matrices. It can be reinterpreted as a model of two hermitian matrices with specific couplings, and as a model of positive definite hermitian matrices. Large-N perturbation theory generates dynamical triangulations in which the triangles can be chequered (i.e. coloured so that neighbours are opposite colours). On a sphere there is a simple relation between such triangulations and those generated by the single hermitian matrix model. For the torus (and a quartic potential) we solve the counting problem for the number of triangulations that cannot be quechered. The critical physics of chequered triangulations is the same as that of the hermitian matrix model. We show this explicitly by solving non-perturbatively pure two-dimensional ''chequered'' gravity. The interpretative framework given here applies to a number of other generalisations of the hermitian matrix model. (orig.)

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

International Nuclear Information System (INIS)

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

2005-01-01

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

Efficacy of surface error corrections to density functional theory calculations of vacancy formation energy in transition metals.

Science.gov (United States)

Nandi, Prithwish Kumar; Valsakumar, M C; Chandra, Sharat; Sahu, H K; Sundar, C S

2010-09-01

We calculate properties like equilibrium lattice parameter, bulk modulus and monovacancy formation energy for nickel (Ni), iron (Fe) and chromium (Cr) using Kohn-Sham density functional theory (DFT). We compare the relative performance of local density approximation (LDA) and generalized gradient approximation (GGA) for predicting such physical properties for these metals. We also make a relative study between two different flavors of GGA exchange correlation functional, namely PW91 and PBE. These calculations show that there is a discrepancy between DFT calculations and experimental data. In order to understand this discrepancy in the calculation of vacancy formation energy, we introduce a correction for the surface intrinsic error corresponding to an exchange correlation functional using the scheme implemented by Mattsson et al (2006 Phys. Rev. B 73 195123) and compare the effectiveness of the correction scheme for Al and the 3d transition metals.

Classification of categories with matrices of coefficient 2 and order n

KAUST Repository

Allouch, Samer

2017-12-15

In this paper, we present the categories associated to the square matrix with coefficients 2 of order 3. The family of categories associated to these matrices has five isomorphism classes. In the case of a matrix of order higher than 3, we only demonstrate upper and lower bounds for the number of associated categories.

Classification of categories with matrices of coefficient 2 and order n

KAUST Repository

Allouch, Samer; Simpson, Carlos

2017-01-01

In this paper, we present the categories associated to the square matrix with coefficients 2 of order 3. The family of categories associated to these matrices has five isomorphism classes. In the case of a matrix of order higher than 3, we only demonstrate upper and lower bounds for the number of associated categories.

Screening of catalytic oxygen reduction reaction activity of metal-doped graphene by density functional theory

International Nuclear Information System (INIS)

Chen, Xin; Chen, Shuangjing; Wang, Jinyu

2016-01-01

Highlights: • The screened M-G structures are very thermodynamically stable, and the stability is even higher than that of the corresponding bulk metal surfaces. • The binding energies of ORR intermediates suggest that they are not linear dependence, which are different form the cases found on some metal-based catalysts. • The Au-, Co-, and Ag-G structures could be used as the ORR catalysts. - Abstract: Graphene doping is a promising direction for developing effective oxygen reduction reaction (ORR) catalysts. In this paper, we computationally investigated the ORR performance of 10 kinds of metal-doped graphene (M-G) catalysts, namely, Al-, Si-, Mn-, Fe-, Co-, Ni-, Pd-, Ag-, Pt-, and Au-G. The results shown that the binding energies of the metal atoms incorporated into the graphene vacancy are higher than their bulk cohesive energies, indicating the formed M-G catalysts are even more stable than the corresponding bulk metal surfaces, and thus avoid the metals dissolution in the reaction environment. We demonstrated that the linear relation among the binding energies of the ORR intermediates that found on metal-based materials does not hold for the M-G catalysts, therefore a single binding energy of intermediate alone is not sufficient to evaluate the ORR activity of an arbitrary catalyst. By analysis of the detailed ORR processes, we predicted that the Au-, Co-, and Ag-G materials can be used as the ORR catalysts.

Designing mixed metal halide ammines for ammonia storage using density functional theory and genetic algorithms

DEFF Research Database (Denmark)

Jensen, Peter Bjerre; Lysgaard, Steen; Quaade, Ulrich J.

2014-01-01

electrolyte membrane fuel cells (PEMFC). We use genetic algorithms (GAs) to search for materials containing up to three different metals (alkaline-earth, 3d and 4d) and two different halides (Cl, Br and I) – almost 27000 combinations, and have identified novel mixtures, with significantly improved storage......Metal halide ammines have great potential as a future, high-density energy carrier in vehicles. So far known materials, e.g. Mg(NH3)6Cl2 and Sr(NH3)8Cl2, are not suitable for automotive, fuel cell applications, because the release of ammonia is a multi-step reaction, requiring too much heat...

Interactions between Food Additive Silica Nanoparticles and Food Matrices

Directory of Open Access Journals (Sweden)

Mi-Ran Go

2017-06-01

Full Text Available Nanoparticles (NPs have been widely utilized in the food industry as additives with their beneficial characteristics, such as improving sensory property and processing suitability, enhancing functional and nutritional values, and extending shelf-life of foods. Silica is used as an anti-caking agent to improve flow property of powered ingredients and as a carrier for flavors or active compounds in food. Along with the rapid development of nanotechnology, the sizes of silica fall into nanoscale, thereby raising concerns about the potential toxicity of nano-sized silica materials. There have been a number of studies carried out to investigate possible adverse effects of NPs on the gastrointestinal tract. The interactions between NPs and surrounding food matrices should be also taken into account since the interactions can affect their bioavailability, efficacy, and toxicity. In the present study, we investigated the interactions between food additive silica NPs and food matrices, such as saccharides, proteins, lipids, and minerals. Quantitative analysis was performed to determine food component-NP corona using HPLC, fluorescence quenching, GC-MS, and ICP-AES. The results demonstrate that zeta potential and hydrodynamic radius of silica NPs changed in the presence of all food matrices, but their solubility was not affected. However, quantitative analysis on the interactions revealed that a small portion of food matrices interacted with silica NPs and the interactions were highly dependent on the type of food component. Moreover, minor nutrients could also affect the interactions, as evidenced by higher NP interaction with honey rather than with a simple sugar mixture containing an equivalent amount of fructose, glucose, sucrose, and maltose. These findings provide fundamental information to extend our understanding about the interactions between silica NPs and food components and to predict the interaction effect on the safety aspects of food

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.

Assessment of heavy metal pollution risks in Yonki Reservoir environmental matrices affected by gold mining activity.

Science.gov (United States)

Kapia, Samuel; Rao, B K Rajashekhar; Sakulas, Harry

2016-10-01

This study reports the heavy metal (Hg, Cd, Cr, Cu, and Pb) contamination risks to and safety of two species of fresh water fish (tilapia, Oreochromis mossambicus and carp, Cyprinus carpio) that are farmed in the Yonki Reservoir in the Eastern Highlands of Papua New Guinea (PNG). The upper reaches of the reservoir are affected by alluvial and large-scale gold mining activities. We also assessed heavy metal levels in the surface waters and sediments and in selected aquatic plant species from the reservoir and streams that intersect the gold mining areas. The water quality was acceptable, except for the Cr concentration, which exceeded the World Health Organization (WHO) standard for water contamination. The sediments were contaminated with Cd and Cu in most of the sampling stations along the upstream waters and the reservoir. The Cd concentration in the sediments exceeded the US Environmental Protection Agency's Sediment Quality Guideline (SQG) values, and the geoaccumulation index (Igeo) values indicated heavy to extreme pollution. In addition, the Cd, Cu, and Pb concentrations in aquatic plants exceeded the WHO guidelines for these contaminants. Between the fish species, tilapia accumulated significantly higher (P < 0.05) Cu in their organ tissues than carp, confirming the bioaccumulation of some metals in the aquatic fauna. The edible muscles of the fish specimens had metal concentrations below the maximum permissible levels established by statutory guidelines. In addition, a human health risk assessment, performed using the estimated weekly intake (EWI) values, indicated that farmed fish from the Yonki Reservoir are safe for human consumption.

Quasiparticle density of states in a half metal in the presence of odd-frequency Cooper pairs

NARCIS (Netherlands)

Asano, Yasuhiro; Yokoyama, Takehito; Tanaka, Yukio; Golubov, Alexandre Avraamovitch

2008-01-01

We study the local density of states in a half metal sandwiched by the two superconductors. The spin-flip scattering at the junction interface opens the Josephson channels of the odd-frequency spin-triplet s-wave Cooper pairs. The penetration of the odd-frequency pairs enhances the quasiparticle

Obesity-related eating behaviors are associated with higher food energy density and higher consumption of sugary and alcoholic beverages: a cross-sectional study.

Science.gov (United States)

Muñoz-Pareja, Maritza; Guallar-Castillón, Pilar; Mesas, Arthur E; López-García, Esther; Rodríguez-Artalejo, Fernando

2013-01-01

Obesity-related eating behaviors (OREB) are associated with higher energy intake. Total energy intake can be decomposed into the following constituents: food portion size, food energy density, the number of eating occasions, and the energy intake from energy-rich beverages. To our knowledge this is the first study to examine the association between the OREB and these energy components. Data were taken from a cross-sectional study conducted in 2008-2010 among 11,546 individuals representative of the Spanish population aged ≥ 18 years. Information was obtained on the following 8 self-reported OREB: not planning how much to eat before sitting down, eating precooked/canned food or snacks bought at vending machines or at fast-food restaurants, not choosing low-energy foods, not removing visible fat from meat or skin from chicken, and eating while watching TV. Usual diet was assessed with a validated diet history. Analyses were performed with linear regression with adjustment for main confounders. Compared to individuals with ≤ 1 OREB, those with ≥ 5 OREB had a higher food energy density (β 0.10; 95% CI 0.08, 0.12 kcal/g/day; p-trendassociated with higher intake of dairy products and red meat, and with lower consumption of fresh fruit, oily fish and white meat. No association was found between the number of OREB and food portion size or the number of eating occasions. OREB were associated with higher food energy density and higher consumption of sugary and alcoholic beverages. Avoiding OREB may prove difficult because they are firmly socially rooted, but these results may nevertheless serve to palliate the undesirable effects of OREB by reducing the associated energy intake.

Spectrographic determination of impurities in amonium hydrogen fluoride samples. II. Study of the behaviour the added matrices

International Nuclear Information System (INIS)

Alduan, F.A.; Capdevila, C; Roca, M.

1979-01-01

In order to account for the variations in the shape of the excitation-volatilization curves and the values of the line intensities of the different impurities determined in ammonium bifluoride, the behaviour of the added matrices (graphite, Ga 2 O 3 , GeO 2 , MgO and ZnO) has been considered. With this aim the influence of the added matrices on the arc discharge parameters (temperature and electronic concentration) and on the exhaustation rate of the electrode load as a function of the excitation time has been studied. On the other hand, the curve of variation of the line intensity of the metallic component of each matrix versus time has been obtained and the residues in the electrode cavity have been investigated by X-ray powder diffraction. (author)

Spin alignment and density matrix measurement in 28Si + 12C orbiting reaction

International Nuclear Information System (INIS)

Ray, A.; Shapira, D.; Halbert, M.L.; Gomez del Campo, J.; Kim, H.J.; Sullivan, J.P.; Shivakumar, B.; Mitchell, J.

1990-01-01

Gamma-ray angular correlations have been measured for the strongly damped reactions 12 C( 28 Si, 12 C) 28 Si between θ cm = (120 degree - 160 degree) for E cm = 43.5 and 48 MeV. We find that the density matrices for the 12 C(2 1 + ) and 28 Si states are almost diagonal with respect to the direction of motion of the outgoing particle. The measured density matrices and spin alignments are consistent with the picture of formation of a long-lived dinuclear complex undergoing orbiting, bending and wriggling motions, but not with those obtained from statistical compound nucleus or sticking model calculations. 17 refs., 2 figs., 1 tab

Studies on the optimization of deformation processed metal metal matrix composites

Energy Technology Data Exchange (ETDEWEB)

Ellis, Tim W. [Iowa State Univ., Ames, IA (United States)

1994-01-04

A methodology for the production of deformation processed metal metal matrix composites from hyper-eutectic copper-chromium alloys was developed. This methodology was derived from a basic study of the precipitation phenomena in these alloys encompassing evaluation of microstructural, electrical, and mechanical properties. The methodology developed produces material with a superior combination of electrical and mechanical properties compared to those presently available in commercial alloys. New and novel alloying procedures were investigated to extend the range of production methods available for these material. These studies focused on the use of High Pressure Gas Atomization and the development of new containment technologies for the liquid alloy. This allowed the production of alloys with a much more refined starting microstructure and lower contamination than available by other methods. The knowledge gained in the previous studies was used to develop two completely new families of deformation processed metal metal matrix composites. These composites are based on immissible alloys with yttrium and magnesium matrices and refractory metal reinforcement. This work extends the physical property range available in deformation processed metal metal matrix composites. Additionally, it also represents new ways to apply these metals in engineering applications.

Nanostructured Electrode Materials Derived from Metal-Organic Framework Xerogels for High-Energy-Density Asymmetric Supercapacitor.

Science.gov (United States)

Mahmood, Asif; Zou, Ruqiang; Wang, Qingfei; Xia, Wei; Tabassum, Hassina; Qiu, Bin; Zhao, Ruo

2016-01-27

This work successfully demonstrates metal-organic framework (MOF) derived strategy to prepare nanoporous carbon (NPC) with or without Fe3O4/Fe nanoparticles by the optimization of calcination temperature as highly active electrode materials for asymmetric supercapacitors (ASC). The nanostructured Fe3O4/Fe/C hybrid shows high specific capacitance of 600 F/g at a current density of 1 A/g and excellent capacitance retention up to 500 F/g at 8 A/g. Furthermore, hierarchically NPC with high surface area also obtained from MOF gels displays excellent electrochemical performance of 272 F/g at 2 mV/s. Considering practical applications, aqueous ASC (aASC) was also assembled, which shows high energy density of 17.496 Wh/kg at the power density of 388.8 W/kg. The high energy density and excellent capacity retention of the developed materials show great promise for the practical utilization of these energy storage devices.

Reduction of UF4 to U-metal

International Nuclear Information System (INIS)

Namkung, H.; Min, B.T.; Kim, J.S.; Whang, S.C.

1982-01-01

In the second years of study for the production of the metallic uranium with reactors which can produce 1 Kg and 4 Kg U-metal, various factors on the yield of U-metal and the leaching condition for uranium recovery with nitric acid are examined. The jolter has been used for the charging with liner (MgF 2 ) while the hand-tamping method for the filling of reaction mixtures (UF 4 -Mg) in the reactor, and their average densities are 1.23g/cc and 2.90g/cc, respectively. The various effects on the yield such as magnesium excess, furnace control temperatue, charge densities of liner and reaction mixtures, have been studied but the yields of crude metal production are in the wide range from 93 % down to about 65 %. Generally, six percent magnesium excess produced higher yields than did either 2 or 10 percent excess. The leaching condition for the uranium recovery from slag are also investigated with dilute nitric acid (3-6N) as well as higher concentrated nitric acid (9.5N) but the leaching yields are same in either solution. Uranium recovery from the slag is very effective with dilute nitric acid (3N) leaching for less than one hour at 60degC. (Author)

Random matrices and random difference equations

International Nuclear Information System (INIS)

Uppuluri, V.R.R.

1975-01-01

Mathematical models leading to products of random matrices and random difference equations are discussed. A one-compartment model with random behavior is introduced, and it is shown how the average concentration in the discrete time model converges to the exponential function. This is of relevance to understanding how radioactivity gets trapped in bone structure in blood--bone systems. The ideas are then generalized to two-compartment models and mammillary systems, where products of random matrices appear in a natural way. The appearance of products of random matrices in applications in demography and control theory is considered. Then random sequences motivated from the following problems are studied: constant pulsing and random decay models, random pulsing and constant decay models, and random pulsing and random decay models

High density dispersion fuel

International Nuclear Information System (INIS)

Hofman, G.L.

1996-01-01

A fuel development campaign that results in an aluminum plate-type fuel of unlimited LEU burnup capability with an uranium loading of 9 grams per cm 3 of meat should be considered an unqualified success. The current worldwide approved and accepted highest loading is 4.8 g cm -3 with U 3 Si 2 as fuel. High-density uranium compounds offer no real density advantage over U 3 Si 2 and have less desirable fabrication and performance characteristics as well. Of the higher-density compounds, U 3 Si has approximately a 30% higher uranium density but the density of the U 6 X compounds would yield the factor 1.5 needed to achieve 9 g cm -3 uranium loading. Unfortunately, irradiation tests proved these peritectic compounds have poor swelling behavior. It is for this reason that the authors are turning to uranium alloys. The reason pure uranium was not seriously considered as a dispersion fuel is mainly due to its high rate of growth and swelling at low temperatures. This problem was solved at least for relatively low burnup application in non-dispersion fuel elements with small additions of Si, Fe, and Al. This so called adjusted uranium has nearly the same density as pure α-uranium and it seems prudent to reconsider this alloy as a dispersant. Further modifications of uranium metal to achieve higher burnup swelling stability involve stabilization of the cubic γ phase at low temperatures where normally α phase exists. Several low neutron capture cross section elements such as Zr, Nb, Ti and Mo accomplish this in various degrees. The challenge is to produce a suitable form of fuel powder and develop a plate fabrication procedure, as well as obtain high burnup capability through irradiation testing

Obesity-related eating behaviors are associated with higher food energy density and higher consumption of sugary and alcoholic beverages: a cross-sectional study.

Directory of Open Access Journals (Sweden)

Maritza Muñoz-Pareja

Full Text Available Obesity-related eating behaviors (OREB are associated with higher energy intake. Total energy intake can be decomposed into the following constituents: food portion size, food energy density, the number of eating occasions, and the energy intake from energy-rich beverages. To our knowledge this is the first study to examine the association between the OREB and these energy components.Data were taken from a cross-sectional study conducted in 2008-2010 among 11,546 individuals representative of the Spanish population aged ≥ 18 years. Information was obtained on the following 8 self-reported OREB: not planning how much to eat before sitting down, eating precooked/canned food or snacks bought at vending machines or at fast-food restaurants, not choosing low-energy foods, not removing visible fat from meat or skin from chicken, and eating while watching TV. Usual diet was assessed with a validated diet history. Analyses were performed with linear regression with adjustment for main confounders.Compared to individuals with ≤ 1 OREB, those with ≥ 5 OREB had a higher food energy density (β 0.10; 95% CI 0.08, 0.12 kcal/g/day; p-trend<0.001 and a higher consumption of sugary drinks (β 7; 95% CI -7, 20 ml/day; p-trend<0.05 and of alcoholic beverages (β 24; 95% CI 10, 38 ml/day; p-trend<0.001. Specifically, a higher number of OREB was associated with higher intake of dairy products and red meat, and with lower consumption of fresh fruit, oily fish and white meat. No association was found between the number of OREB and food portion size or the number of eating occasions.OREB were associated with higher food energy density and higher consumption of sugary and alcoholic beverages. Avoiding OREB may prove difficult because they are firmly socially rooted, but these results may nevertheless serve to palliate the undesirable effects of OREB by reducing the associated energy intake.

Supercritical fluid extraction of positron-emitting radioisotopes from solid target matrices

International Nuclear Information System (INIS)

Schlyer, D.

2000-01-01

Supercritical fluids are attractive as media for both chemical reactions, as well as process extraction, since their physical properties can be manipulated by small changes in pressure and temperature near the critical point of the fluid. Such changes can result in drastic effects on density-dependent properties such as solubility, refractive index, dielectric constant, viscosity and diffusivity of the fluid. This suggests that pressure tuning of a pure supercritical fluid may be a useful means to manipulate chemical reactions on the basis of a thermodynamic solvent effect. It also means that the solvation properties of the fluid can be precisely controlled to enable selective component extraction from a matrix. In recent years there has been a growing interest in applying supercritical fluid extraction to the selective removal of trace metals from solid samples. Much of the work has been done on simple systems comprised of inert matrices such as silica or cellulose. Recently, this process as been expanded to environmental samples as well. However, very little is understood about the exact mechanism of the extraction process. Of course, the widespread application of this technology is highly dependent on the ability of scientists to model and predict accurate phase equilibria in complex systems. In this project, we plan to explore the feasibility of utilizing supercritical fluids as solvents for reaction and extraction of radioisotopes produced from solid enriched targets. The reason for this work is that many of these enriched target materials used for radioisotope production are expensive

Spectroscopic ellipsometry on metallic gratings and the energy density in absorbing media

International Nuclear Information System (INIS)

Bergmair, M.

2011-01-01

compared. Deviations in the structure are identified and it is shown that RCWA and SE are a powerful combination to analyze nanostructures. Further the surface plasmonic excitation frequencies for metallic structures are identified in the SE spectra and calculated with a simple theoretical model. It is shown that one can distinguish vertical and horizontal surface plasmons. The characterization of metallic gratings is essential e.g. for solar cells to enhance absorption of incoming photons or for sensing features due to the field enhancement of surface plasmons. The second part of this thesis focuses on the calculation of the energy density in absorbing systems which is necessary to derive the energy velocity. In physics, this problem was only solved for transparent media, i.e. the absorption of the material was neglected. As all metamaterials described before exhibit a strong dispersion which is always connected to a non-zero absorption this approximation does not hold especially in the operating frequency regions of nano structures. Therefore in the beginning simple approximations as monochromatic plane waves exciting a material with an arbitrary response are presented. The obtained results are generalized for bi- and multichromatic fields and the results are compared with the ones from textbooks and literature. Finally the expression for the energy density and the loss is explicitly derived for a material with a retarded response and a material whose polarizability is described by a damped harmonic oscillator. By these calculations it is shown that the energy density depends on the kind of excitation and material properties. It is possible to determine the expressions analytically for several cases. Further the energy balance can be evaluated numerically even for metamaterials whose response function consists of numerical data. (author) [de

Ab initio molecular dynamics model for density, elastic properties and short range order of Co-Fe-Ta-B metallic glass thin films

International Nuclear Information System (INIS)

Hostert, C; Music, D; Schneider, J M; Bednarcik, J; Keckes, J; Kapaklis, V; Hjörvarsson, B

2011-01-01

Density, elastic modulus and the pair distribution function of Co-Fe-Ta-B metallic glasses were obtained by ab initio molecular dynamics simulations and measured for sputtered thin films using x-ray reflectivity, nanoindentation and x-ray diffraction using high energy photons. The computationally obtained density of 8.19 g cm -3 for Co 43 Fe 20 Ta 5.5 B 31.5 and 8.42 g cm -3 for Co 45.5 Fe 24 Ta 6 B 24.5 , as well as the Young’s moduli of 273 and 251 GPa, respectively, are consistent with our experiments and literature data. These data, together with the good agreement between the theoretical and the experimental pair distribution functions, indicate that the model established here is useful to describe the density, elasticity and short range order of Co-Fe-Ta-B metallic glass thin films. Irrespective of the investigated variation in chemical composition, (Co, Fe)-B cluster formation and Co-Fe interactions are identified by density-of-states analysis. Strong bonds within the structural units and between the metallic species may give rise to the comparatively large stiffness. (paper)

Malware analysis using visualized image matrices.

Science.gov (United States)

Han, KyoungSoo; Kang, BooJoong; Im, Eul Gyu

2014-01-01

This paper proposes a novel malware visual analysis method that contains not only a visualization method to convert binary files into images, but also a similarity calculation method between these images. The proposed method generates RGB-colored pixels on image matrices using the opcode sequences extracted from malware samples and calculates the similarities for the image matrices. Particularly, our proposed methods are available for packed malware samples by applying them to the execution traces extracted through dynamic analysis. When the images are generated, we can reduce the overheads by extracting the opcode sequences only from the blocks that include the instructions related to staple behaviors such as functions and application programming interface (API) calls. In addition, we propose a technique that generates a representative image for each malware family in order to reduce the number of comparisons for the classification of unknown samples and the colored pixel information in the image matrices is used to calculate the similarities between the images. Our experimental results show that the image matrices of malware can effectively be used to classify malware families both statically and dynamically with accuracy of 0.9896 and 0.9732, respectively.

Malware Analysis Using Visualized Image Matrices

Directory of Open Access Journals (Sweden)

KyoungSoo Han

2014-01-01

Full Text Available This paper proposes a novel malware visual analysis method that contains not only a visualization method to convert binary files into images, but also a similarity calculation method between these images. The proposed method generates RGB-colored pixels on image matrices using the opcode sequences extracted from malware samples and calculates the similarities for the image matrices. Particularly, our proposed methods are available for packed malware samples by applying them to the execution traces extracted through dynamic analysis. When the images are generated, we can reduce the overheads by extracting the opcode sequences only from the blocks that include the instructions related to staple behaviors such as functions and application programming interface (API calls. In addition, we propose a technique that generates a representative image for each malware family in order to reduce the number of comparisons for the classification of unknown samples and the colored pixel information in the image matrices is used to calculate the similarities between the images. Our experimental results show that the image matrices of malware can effectively be used to classify malware families both statically and dynamically with accuracy of 0.9896 and 0.9732, respectively.

Optimization of superconductor--normal-metal--superconductor Josephson junctions for high critical-current density

International Nuclear Information System (INIS)

Golub, A.; Horovitz, B.

1994-01-01

The application of superconducting Bi 2 Sr 2 CaCu 2 O 8 and YBa 2 Cu 3 O 7 wires or tapes to electronic devices requires the optimization of the transport properties in Ohmic contacts between the superconductor and the normal metal in the circuit. This paper presents results of tunneling theory in superconductor--normal-metal--superconductor (SNS) junctions, in both pure and dirty limits. We derive expressions for the critical-current density as a function of the normal-metal resistivity in the dirty limit or of the ratio of Fermi velocities and effective masses in the clean limit. In the latter case the critical current increases when the ratio γ of the Fermi velocity in the superconductor to that of the weak link becomes much less than 1 and it also has a local maximum if γ is close to 1. This local maximum is more pronounced if the ratio of effective masses is large. For temperatures well below the critical temperature of the superconductors the model with abrupt pair potential on the SN interfaces is considered and its applicability near the critical temperature is examined

Production and characterization of cornstarch/cellulose acetate/silver sulfadiazine extrudate matrices

Energy Technology Data Exchange (ETDEWEB)

Zepon, Karine Modolon [CIMJECT, Departamento de Engenharia Mecânica, Universidade Federal de Santa Catarina, 88040-900 Florianópolis, SC (Brazil); TECFARMA, Universidade do Sul de Santa Catarina, 88704-900 Tubarão, SC (Brazil); Petronilho, Fabricia [FICEXP, Universidade do Sul de Santa Catarina, 88704-900 Tubarão, SC (Brazil); Soldi, Valdir [POLIMAT, Universidade Federal de Santa Catarina, 88040-900 Florianópolis, SC (Brazil); Salmoria, Gean Vitor [CIMJECT, Departamento de Engenharia Mecânica, Universidade Federal de Santa Catarina, 88040-900 Florianópolis, SC (Brazil); Kanis, Luiz Alberto, E-mail: luiz.kanis@unisul.br [TECFARMA, Universidade do Sul de Santa Catarina, 88704-900 Tubarão, SC (Brazil)

2014-11-01

The production and evaluation of cornstarch/cellulose acetate/silver sulfadiazine extrudate matrices are reported herein. The matrices were melt extruded under nine different conditions, altering the temperature and the screw speed values. The surface morphology of the matrices was examined by scanning electron microscopy. The micrographs revealed the presence of non-melted silver sulfadiazine microparticles in the matrices extruded at lower temperature and screw speed values. The thermal properties were evaluated and the results for both the biopolymer and the drug indicated no thermal degradation during the melt extrusion process. The differential scanning analysis of the extrudate matrices showed a shift to lower temperatures for the silver sulfadiazine melting point compared with the non-extruded drug. The starch/cellulose acetate matrices containing silver sulfadiazine demonstrated significant inhibition of the growth of Pseudomonas aeruginosa and Staphylococcus aureus. In vivo inflammatory response tests showed that the extrudate matrices, with or without silver sulfadiazine, did not trigger chronic inflammatory processes. - Highlights: • Melt extruded bio-based matrices containing silver sulfadiazine was produced. • The silver sulfadiazine is stable during melt-extrusion. • The extrudate matrices shown bacterial growth inhibition. • The matrices obtained have potential to development wound healing membranes.

Polynomial sequences generated by infinite Hessenberg matrices

Directory of Open Access Journals (Sweden)

Verde-Star Luis

2017-01-01

Full Text Available We show that an infinite lower Hessenberg matrix generates polynomial sequences that correspond to the rows of infinite lower triangular invertible matrices. Orthogonal polynomial sequences are obtained when the Hessenberg matrix is tridiagonal. We study properties of the polynomial sequences and their corresponding matrices which are related to recurrence relations, companion matrices, matrix similarity, construction algorithms, and generating functions. When the Hessenberg matrix is also Toeplitz the polynomial sequences turn out to be of interpolatory type and we obtain additional results. For example, we show that every nonderogative finite square matrix is similar to a unique Toeplitz-Hessenberg matrix.

Effect of metal ratio and calcination temperature of chromium based mixed oxides catalyst on FAME density from palm fatty acid distillate

Science.gov (United States)

Wan, Z.; Fatimah, S.; Shahar, S.; Noor, A. C.

2017-09-01

Mixed oxides chromium based catalysts were synthesized via sol-gel method for the esterification of palm fatty acid distillate (PFAD) to produce fatty acid methyl ester (FAME). The reactions were conducted in a batch reactor at reaction temperature of 160 °C for 4 h and methanol to PFAD molar ratio of 3:1. The effects of catalyst preparation conditions which are the mixed metal ratio and calcination temperature were studied. The various metal ratio of Cr:Mn (1:0, 0:1, 1:1, 1:2 and 2:1) and Cr:Ti (0:1, 1:1, 1:2 and 2:1) resulted in FAME density ranges from 1.041 g/cm3 to 0.853 g/cm3 and 1.107 g/cm3 to 0.836 g/cm3, respectively. The best condition catalyst was found to be Cr:Ti metal ratio of 1:2 and Cr:Mn metal ratio of 1:1. The calcination temperature of the mixed oxides between 300 °C to 700°C shows effect on the FAME density obtained in the reaction. The calcination at 500°C gave the lowest FAME density of 0.836 g/cm3 and 0.853 g/cm3 for Cr:Ti and Cr:Mn mixed oxides, respectively. The density of FAME is within the value range of the biodiesel fuel property. Thus, mixed oxides of Cr-Ti and Cr-Mn have good potentials as heterogeneous catalyst for FAME synthesis from high acid value oils such as PFAD.

S-matrices and integrability

International Nuclear Information System (INIS)

Bombardelli, Diego

2016-01-01

In these notes we review the S-matrix theory in (1+1)-dimensional integrable models, focusing mainly on the relativistic case. Once the main definitions and physical properties are introduced, we discuss the factorization of scattering processes due to integrability. We then focus on the analytic properties of the two-particle scattering amplitude and illustrate the derivation of the S-matrices for all the possible bound states using the so-called bootstrap principle. General algebraic structures underlying the S-matrix theory and its relation with the form factors axioms are briefly mentioned. Finally, we discuss the S-matrices of sine-Gordon and SU (2), SU (3) chiral Gross–Neveu models. (topical review)

Matrices Aléatoires Tri-diagonales et Par Blocs.

OpenAIRE

MEKKI, Slimane

2014-01-01

Dans ce mémoire l'étude porte sur la densité de matrice aléatoire, les densités des valeurs propres d'une matrice pour les trois ensembles G.O.E, G.U.E, G.S.E. Après nous avons explicité les formules des densités de valeurs propres des matrices tri-diagonales dans les cas HERMITE et LAGUERRE Des simulations sur les constantes de normalisations pour les densités des matrices aléatoires ou des valeurs propres sont présentées.

Synthesis and Characterization of Metal Sulfides Nanoparticles/Poly(methyl methacrylate) Nanocomposites

OpenAIRE

Ajibade, Peter A.; Mbese, Johannes Z.

2014-01-01

Metal sulfides nanoparticles in poly(methyl methacrylate) matrices were prepared and characterized by infrared spectroscopy, thermogravimetric analysis, powder X-ray diffraction, scanning electron microscope (SEM), and transmission electron microscope (TEM). The FTIR confirms the dispersion of the nanoparticles in PMMA matrices with the C=O and C–O–C bonds of the PMMA shifting slightly which may be attributed to the interactions between the nanoparticles and PMMA. The ZnS nanoparticles in PMM...

Hierarchical quark mass matrices

International Nuclear Information System (INIS)

Rasin, A.

1998-02-01

I define a set of conditions that the most general hierarchical Yukawa mass matrices have to satisfy so that the leading rotations in the diagonalization matrix are a pair of (2,3) and (1,2) rotations. In addition to Fritzsch structures, examples of such hierarchical structures include also matrices with (1,3) elements of the same order or even much larger than the (1,2) elements. Such matrices can be obtained in the framework of a flavor theory. To leading order, the values of the angle in the (2,3) plane (s 23 ) and the angle in the (1,2) plane (s 12 ) do not depend on the order in which they are taken when diagonalizing. We find that any of the Cabbibo-Kobayashi-Maskawa matrix parametrizations that consist of at least one (1,2) and one (2,3) rotation may be suitable. In the particular case when the s 13 diagonalization angles are sufficiently small compared to the product s 12 s 23 , two special CKM parametrizations emerge: the R 12 R 23 R 12 parametrization follows with s 23 taken before the s 12 rotation, and vice versa for the R 23 R 12 R 23 parametrization. (author)

Extended Opacity Tables with Higher Temperature-Density-Frequency Resolution

Science.gov (United States)

Schillaci, Mark; Orban, Chris; Delahaye, Franck; Pinsonneault, Marc; Nahar, Sultana; Pradhan, Anil

2015-05-01

Theoretical models for plasma opacities underpin our understanding of radiation transport in many different astrophysical objects. These opacity models are also relevant to HEDP experiments such as ignition scale experiments on NIF. We present a significantly expanded set of opacity data from the widely utilized Opacity Project, and make these higher resolution data publicly available through OSU's portal with dropbox.com. This expanded data set is used to assess how accurate the interpolation of opacity data in temperature-density-frequency dimensions must be in order to adequately model the properties of most stellar types. These efforts are the beginning of a larger project to improve the theoretical opacity models in light of experimental results at the Sandia Z-pinch showing that the measured opacity of Iron disagrees strongly with all current models.

Laminin active peptide/agarose matrices as multifunctional biomaterials for tissue engineering.

Science.gov (United States)

Yamada, Yuji; Hozumi, Kentaro; Aso, Akihiro; Hotta, Atsushi; Toma, Kazunori; Katagiri, Fumihiko; Kikkawa, Yamato; Nomizu, Motoyoshi

2012-06-01

Cell adhesive peptides derived from extracellular matrix components are potential candidates to afford bio-adhesiveness to cell culture scaffolds for tissue engineering. Previously, we covalently conjugated bioactive laminin peptides to polysaccharides, such as chitosan and alginate, and demonstrated their advantages as biomaterials. Here, we prepared functional polysaccharide matrices by mixing laminin active peptides and agarose gel. Several laminin peptide/agarose matrices showed cell attachment activity. In particular, peptide AG73 (RKRLQVQLSIRT)/agarose matrices promoted strong cell attachment and the cell behavior depended on the stiffness of agarose matrices. Fibroblasts formed spheroid structures on the soft AG73/agarose matrices while the cells formed a monolayer with elongated morphologies on the stiff matrices. On the stiff AG73/agarose matrices, neuronal cells extended neuritic processes and endothelial cells formed capillary-like networks. In addition, salivary gland cells formed acini-like structures on the soft matrices. These results suggest that the peptide/agarose matrices are useful for both two- and three-dimensional cell culture systems as a multifunctional biomaterial for tissue engineering. Copyright © 2012 Elsevier Ltd. All rights reserved.

Laser-Induced Changes to L-adrenaline-D-hydrogentartrate Incorporated in KBr Matrices

International Nuclear Information System (INIS)

Jovanovic, T.S.; Bogavac, M.R.; Radak, B.B.; Trtica, M.S.

2002-01-01

Changes in the pharmaceutical L-adrenaline-D-hydrogentartrate, incorporated in KBr matrices, induced by a pulsed carbon-dioxide Transversely Excited Atmospheric (TEA) laser, were observed. Modifications of the sample were monitored via infrared spectra. Special attention was devoted to the dependence of the sample changes on the laser energy density used. The irradiation of the pharmaceutical has been performed with two laser lines at wavelengths of about 10.6 μm. The laser lines coincide well with the absorption band of the pharmaceutical, which is assigned to the ring vibrations/out-of-plane OH deformation vibrations, within the carboxyl (COOH) group of L-adrenaline-D-hydrogentartrate. Laser energy densities of 1.20 and 1.70 J/cm2 modified the pharmaceutical/compound. It was found that this modification is in essence a thermal effect. The level of change showed a dependence on the laser energy density, number of accumulated laser pulses and temporal shape of the pulse.

Composites reinforced via mechanical interlocking of surface-roughened microplatelets within ductile and brittle matrices.

Science.gov (United States)

Libanori, R; Carnelli, D; Rothfuchs, N; Binelli, M R; Zanini, M; Nicoleau, L; Feichtenschlager, B; Albrecht, G; Studart, A R

2016-04-12

Load-bearing reinforcing elements in a continuous matrix allow for improved mechanical properties and can reduce the weight of structural composites. As the mechanical performance of composite systems are heavily affected by the interfacial properties, tailoring the interactions between matrices and reinforcing elements is a crucial problem. Recently, several studies using bio-inspired model systems suggested that interfacial mechanical interlocking is an efficient mechanism for energy dissipation in platelet-reinforced composites. While cheap and effective solutions are available at the macroscale, the modification of surface topography in micron-sized reinforcing elements still represents a challenging task. Here, we report a simple method to create nanoasperities with tailored sizes and densities on the surface of alumina platelets and investigate their micromechanical effect on the energy dissipation mechanisms of nacre-like materials. Composites reinforced with roughened platelets exhibit improved mechanical properties for both organic ductile epoxy and inorganic brittle cement matrices. Mechanical interlocking increases the modulus of toughness (area under the stress-strain curve) by 110% and 56% in epoxy and cement matrices, respectively, as compared to those reinforced with flat platelets. This interlocking mechanism can potentially lead to a significant reduction in the weight of mechanical components while retaining the structural performance required in the application field.

Accelerating Matrix-Vector Multiplication on Hierarchical Matrices Using Graphical Processing Units

KAUST Repository

Boukaram, W.

2015-03-25

Large dense matrices arise from the discretization of many physical phenomena in computational sciences. In statistics very large dense covariance matrices are used for describing random fields and processes. One can, for instance, describe distribution of dust particles in the atmosphere, concentration of mineral resources in the earth\\'s crust or uncertain permeability coefficient in reservoir modeling. When the problem size grows, storing and computing with the full dense matrix becomes prohibitively expensive both in terms of computational complexity and physical memory requirements. Fortunately, these matrices can often be approximated by a class of data sparse matrices called hierarchical matrices (H-matrices) where various sub-blocks of the matrix are approximated by low rank matrices. These matrices can be stored in memory that grows linearly with the problem size. In addition, arithmetic operations on these H-matrices, such as matrix-vector multiplication, can be completed in almost linear time. Originally the H-matrix technique was developed for the approximation of stiffness matrices coming from partial differential and integral equations. Parallelizing these arithmetic operations on the GPU has been the focus of this work and we will present work done on the matrix vector operation on the GPU using the KSPARSE library.

Antimicrobial Polymers with Metal Nanoparticles

Science.gov (United States)

Palza, Humberto

2015-01-01

Metals, such as copper and silver, can be extremely toxic to bacteria at exceptionally low concentrations. Because of this biocidal activity, metals have been widely used as antimicrobial agents in a multitude of applications related with agriculture, healthcare, and the industry in general. Unlike other antimicrobial agents, metals are stable under conditions currently found in the industry allowing their use as additives. Today these metal based additives are found as: particles, ions absorbed/exchanged in different carriers, salts, hybrid structures, etc. One recent route to further extend the antimicrobial applications of these metals is by their incorporation as nanoparticles into polymer matrices. These polymer/metal nanocomposites can be prepared by several routes such as in situ synthesis of the nanoparticle within a hydrogel or direct addition of the metal nanofiller into a thermoplastic matrix. The objective of the present review is to show examples of polymer/metal composites designed to have antimicrobial activities, with a special focus on copper and silver metal nanoparticles and their mechanisms. PMID:25607734

Preservation of iron(II) by carbon-rich matrices in a hydrothermal plume

Energy Technology Data Exchange (ETDEWEB)

Toner, Brandy M.; Fakra, Sirine C.; Manganini, Steven J.; Santelli, Cara M.; Marcus, Matthew A.; Moffett, James W.; Rouxel, Olivier; German, Christopher R.; Edwards, Katrina J.

2008-09-20

Hydrothermal venting associated with mid-ocean ridge volcanism is globally widespread. This venting is responsible for a dissolved iron flux to the ocean that is approximately equal to that associated with continental riverine runoff. For hydrothermal fluxes, it has long been assumed that most of the iron entering the oceans is precipitated in inorganic forms. However, the possibility of globally significant fluxes of iron escaping these mass precipitation events and entering open-ocean cycles is now being debated, and two recent studies suggest that dissolved organic ligands might influence the fate of hydrothermally vented metals. Here we present spectromicroscopic measurements of iron and carbon in hydrothermal plume particles at the East Pacific Rise mid-ocean ridge. We show that organic carbon-rich matrices, containing evenly dispersed iron(II)-rich materials, are pervasive in hydrothermal plume particles. The absence of discrete iron(II) particles suggests that the carbon and iron associate through sorption or complexation. We suggest that these carbon matrices stabilize iron(II) released from hydrothermal vents in the region, preventing its oxidation and/or precipitation as insoluble minerals. Our findings have implications for deep-sea biogeochemical cycling of iron, a widely recognized limiting nutrient in the oceans.

Spectrographic determination of impurities in ammonium hydrogen fluoride samples. II. Study of the behaviour of the added matrices

International Nuclear Information System (INIS)

Alduan, F. A.; Roca, M.; Capdevila, C.

1979-01-01

In order to account for the variations In the shape of the excitation-volatilization' curves and the values of the line intensities of the different impurities determined in ammonium bifluoride, the behaviour of the added matrices (graphite, 63203, GeO 2 , MgO and ZnO) has been considered. With this aim the influence of the added matrices on the are discharge parameters (temperature and electronic concentration) and on the exhaustion rate of the electrode load as a function of the excitation time has been studied. On the other hand, the curve of variation of the line intensity of the metallic component of each matrix versus time has been obtained and the residues in the electrode cavity have been investigated by X-ray powder diffraction. (Author) 7 refs

The Antitriangular Factorization of Saddle Point Matrices

KAUST Repository

Pestana, J.

2014-01-01

Mastronardi and Van Dooren [SIAM J. Matrix Anal. Appl., 34 (2013), pp. 173-196] recently introduced the block antitriangular ("Batman") decomposition for symmetric indefinite matrices. Here we show the simplification of this factorization for saddle point matrices and demonstrate how it represents the common nullspace method. We show that rank-1 updates to the saddle point matrix can be easily incorporated into the factorization and give bounds on the eigenvalues of matrices important in saddle point theory. We show the relation of this factorization to constraint preconditioning and how it transforms but preserves the structure of block diagonal and block triangular preconditioners. © 2014 Society for Industrial and Applied Mathematics.

Stochastic estimation of nuclear level density in the nuclear shell model: An application to parity-dependent level density in 58Ni

Directory of Open Access Journals (Sweden)

Noritaka Shimizu

2016-02-01

Full Text Available We introduce a novel method to obtain level densities in large-scale shell-model calculations. Our method is a stochastic estimation of eigenvalue count based on a shifted Krylov-subspace method, which enables us to obtain level densities of huge Hamiltonian matrices. This framework leads to a successful description of both low-lying spectroscopy and the experimentally observed equilibration of Jπ=2+ and 2− states in 58Ni in a unified manner.

Metallic glasses of the type Fe80B17X3

International Nuclear Information System (INIS)

Riedel, M.; Gnaser, H.; Ruedenauer, F.G.

1981-08-01

Absolute and relative practical sensitivities for Osub2sup+ - bombardement of 14 elements, present as a 3% admixture in a Fe80B17X3 metallic glass matrix, were determined by SIMS. The variation of sensitivity data between elements is similar to that found for pure element samples. The 3% admixture causes a small but statistically significant matrix effect on the matrix elements Fe and B. Comparison with yield data of the same minor impurity elements in other matrices (stainless steel, silicon) shows, that sensitivities in different matrices are within 30% for most elements, indicating the possibility of transferring relative sensitivity factor data determined on metallic glasses to other Fe-based alloys and thereby obtaining a semi- quantitative analysis. (author)

Graphs and matrices

CERN Document Server

Bapat, Ravindra B

2014-01-01

This new edition illustrates the power of linear algebra in the study of graphs. The emphasis on matrix techniques is greater than in other texts on algebraic graph theory. Important matrices associated with graphs (for example, incidence, adjacency and Laplacian matrices) are treated in detail. Presenting a useful overview of selected topics in algebraic graph theory, early chapters of the text focus on regular graphs, algebraic connectivity, the distance matrix of a tree, and its generalized version for arbitrary graphs, known as the resistance matrix. Coverage of later topics include Laplacian eigenvalues of threshold graphs, the positive definite completion problem and matrix games based on a graph. Such an extensive coverage of the subject area provides a welcome prompt for further exploration. The inclusion of exercises enables practical learning throughout the book. In the new edition, a new chapter is added on the line graph of a tree, while some results in Chapter 6 on Perron-Frobenius theory are reo...

Bayesian Nonparametric Clustering for Positive Definite Matrices.

Science.gov (United States)

Cherian, Anoop; Morellas, Vassilios; Papanikolopoulos, Nikolaos

2016-05-01

Symmetric Positive Definite (SPD) matrices emerge as data descriptors in several applications of computer vision such as object tracking, texture recognition, and diffusion tensor imaging. Clustering these data matrices forms an integral part of these applications, for which soft-clustering algorithms (K-Means, expectation maximization, etc.) are generally used. As is well-known, these algorithms need the number of clusters to be specified, which is difficult when the dataset scales. To address this issue, we resort to the classical nonparametric Bayesian framework by modeling the data as a mixture model using the Dirichlet process (DP) prior. Since these matrices do not conform to the Euclidean geometry, rather belongs to a curved Riemannian manifold,existing DP models cannot be directly applied. Thus, in this paper, we propose a novel DP mixture model framework for SPD matrices. Using the log-determinant divergence as the underlying dissimilarity measure to compare these matrices, and further using the connection between this measure and the Wishart distribution, we derive a novel DPM model based on the Wishart-Inverse-Wishart conjugate pair. We apply this model to several applications in computer vision. Our experiments demonstrate that our model is scalable to the dataset size and at the same time achieves superior accuracy compared to several state-of-the-art parametric and nonparametric clustering algorithms.

Density functional study of isoguanine tetrad and pentad sandwich complexes with alkali metal ions.

Science.gov (United States)

Meyer, Michael; Steinke, Thomas; Sühnel, Jürgen

2007-02-01

Isoguanine tetraplexes and pentaplexes contain two or more stacked polyads with intercalating metal ions. We report here the results of a density functional study of sandwiched isoguanine tetrad and pentad complexes consisting of two polyads with Na(+), K(+) and Rb(+) ions at the B3LYP level. In comparison to single polyad metal ion complexes, there is a trend towards increased non-planarity of the polyads in the sandwich complexes. In general, the pentad sandwiches have relatively planar polyad structures, whereas the tetrad complexes contain highly non-planar polyad building blocks. As in other sandwich complexes and in metal ion complexes with single polyads, the metal ion-base interaction energy plays an essential role. In iG sandwich structures, this interaction energy is slightly larger than in the corresponding guanine sandwich complexes. Because the base-base interaction energy is even more increased in passing from guanine to isoguanine, the isoguanine sandwiches are thus far the only examples where the base-base interaction energy is larger than the base-metal ion interaction energy. Stacking interactions have been studied in smaller models consisting of two bases, retaining the geometry from the complete complex structures. From the data obtained at the B3LYP and BH&H levels and with Møller-Plesset perturbation theory, one can conclude that the B3LYP method overestimates the repulsion in stacked base dimers. For the complexes studied in this work, this is only of minor importance because the direct inter-tetrad or inter-pentad interaction is supplemented by a strong metal ion-base interaction. Using a microsolvation model, the metal ion preference K(+) approximately Rb(+) > Na(+) is found for tetrad complexes. On the other hand, for pentads the ordering is Rb(+) > K(+) > Na(+). In the latter case experimental data are available that agree with this prediction.

Coupled X-ray computed tomography and grey level co-occurrence matrices as a method for quantification of mineralogy and texture in 3D

Science.gov (United States)

Jardine, M. A.; Miller, J. A.; Becker, M.

2018-02-01

Texture is one of the most basic descriptors used in the geological sciences. The value derived from textural characterisation extends into engineering applications associated with mining, mineral processing and metal extraction where quantitative textural information is required for models predicting the response of the ore through a particular process. This study extends the well-known 2D grey level co-occurrence matrices methodology into 3D as a method for image analysis of 3D x-ray computed tomography grey scale volumes of drill core. Subsequent interrogation of the information embedded within the grey level occurrence matrices (GLCM) indicates they are sensitive to changes in mineralogy and texture of samples derived from a magmatic nickel sulfide ore. The position of the peaks in the GLCM is an indication of the relative density (specific gravity, SG) of the minerals and when interpreted using a working knowledge of the mineralogy of the ore presented a means to determine the relative abundance of the sulfide minerals (SG > 4), dense silicate minerals (SG > 3), and lighter silicate minerals (SG < 3). The spread of the peaks in the GLCM away from the diagonal is an indication of the degree of grain boundary interaction with wide peaks representing fine grain sizes and narrow peaks representing coarse grain sizes. The method lends itself to application as part of a generic methodology for routine use on large XCT volumes providing quantitative, timely, meaningful and automated information on mineralogy and texture in 3D.

Quantum Monte Carlo studies of a metallic spin-density wave transition

Energy Technology Data Exchange (ETDEWEB)

Gerlach, Max Henner

2017-01-20

Plenty experimental evidence indicates that quantum critical phenomena give rise to much of the rich physics observed in strongly correlated itinerant electron systems such as the high temperature superconductors. A quantum critical point of particular interest is found at the zero-temperature onset of spin-density wave order in two-dimensional metals. The appropriate low-energy theory poses an exceptionally hard problem to analytic theory, therefore the unbiased and controlled numerical approach pursued in this thesis provides important contributions on the road to comprehensive understanding. After discussing the phenomenology of quantum criticality, a sign-problem-free determinantal quantum Monte Carlo approach is introduced and an extensive toolbox of numerical methods is described in a self-contained way. By the means of large-scale computer simulations we have solved a lattice realization of the universal effective theory of interest. The finite-temperature phase diagram, showing both a quasi-long-range spin-density wave ordered phase and a d-wave superconducting dome, is discussed in its entirety. Close to the quantum phase transition we find evidence for unusual scaling of the order parameter correlations and for non-Fermi liquid behavior at isolated hot spots on the Fermi surface.

Study on the Properties of Ionized Metal Plasma Methodology on Titanium

International Nuclear Information System (INIS)

Leow, M. T.; Hassan, Z.; Lee, K. E.; Omar, G.; Lim, S. P.; Chan, C. F.; Siew, E. T.; Chuah, Z. M.

2010-01-01

Ionized Metal Plasma (IMP) deposition was used in depositing metal interconnection of titanium metal film. Inductively coupled plasma (ICP) was attached to chamber wall where it creates an electromagnetic field, thus, ionizing the sputtered metal atoms from target. The film morphology was observed by scanning electron microscope (SEM). Acoustic measurement of titanium film thickness showed that there was a comparable result with film resistance measured by 4-point probe. Results show that higher plasma density would cause tensile properties on the film stress.

Metal-charge density wave coexistence in TTF[Ni(dmit){sub 2}]{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Kaddour, W. [Laboratoire de Physique des Solides, UMR 8502-CNRS, Univ. Paris-Sud, Orsay F-91405 (France); Laboratoire de Physique de la Matière Condensée, Campus Universitaire, Université de Tunis El-Manar, Tunis 2092 (Tunisia); Auban-Senzier, P.; Raffy, H.; Monteverde, M.; Pouget, J.-P. [Laboratoire de Physique des Solides, UMR 8502-CNRS, Univ. Paris-Sud, Orsay F-91405 (France); Pasquier, C.R., E-mail: pasquier@lps.u-psud.fr [Laboratoire de Physique des Solides, UMR 8502-CNRS, Univ. Paris-Sud, Orsay F-91405 (France); Alemany, P. [Departament de Química Física and Institut de Química Teòrica i Computacional (IQTCUB), Universitat de Barcelona, Martí i Franquès 1, 08028 Barcelona (Spain); Canadell, E. [Institut de Ciència de Materials de Barcelona (CSIC), Campus UAB, 08193 Bellaterra (Spain); Valade, L. [Laboratoire de Chimie de Coordination, Route de Narbonne F-31077 Toulouse (France)

2015-03-01

We have established a new pressure–temperature phase diagram of TTF[Ni(dmit){sub 2}]{sub 2} based on longitudinal and transverse resistivity measurements under pressure up to 30 kbar. We were able to identify three different charge density wave (CDW) states which all coexist with a metallic state in a wide temperature range and superconductivity at the lowest temperatures. At low pressure, two successive CDW transitions have been clearly identified. These two transitions merge into a single one at 12 kbar. A maximum of this unique CDW transition temperature is observed at 19 kbar.

On Skew Circulant Type Matrices Involving Any Continuous Fibonacci Numbers

Directory of Open Access Journals (Sweden)

Zhaolin Jiang

2014-01-01

inverse matrices of them by constructing the transformation matrices. Furthermore, the maximum column sum matrix norm, the spectral norm, the Euclidean (or Frobenius norm, and the maximum row sum matrix norm and bounds for the spread of these matrices are given, respectively.

MGI-oriented High-throughput Measurement of Interdiffusion Coefficient Matrices in Ni-based Superalloys

Directory of Open Access Journals (Sweden)

TANG Ying

2017-01-01

Full Text Available One of the research hotspots in the field of high-temperature alloys was to search the substitutional elements for Re in order to prepare the single-crystal Ni-based superalloys with less or even no Re addition. To find the elements with similar or even lower diffusion coefficients in comparison with that of Re was one of the effective strategies. In multicomponent alloys, the interdiffusivity matrix were used to comprehensively characterize the diffusion ability of any alloying elements. Therefore, accurate determination of the composition-dependant and temperature-dependent interdiffusivities matrices of different elements in γ and γ' phases of Ni-based superalloys was high priority. The paper briefly introduces of the status of the interdiffusivity matrices determination in Ni-based superalloys, and the methods for determining the interdiffusivities in multicomponent alloys, including the traditional Matano-Kirkaldy method and recently proposed numerical inverse method. Because the traditional Matano-Kirkaldy method is of low efficiency, the experimental reports on interdiffusivity matrices in ternary and higher order sub-systems of the Ni-based superalloys were very scarce in the literature. While the numerical inverse method newly proposed in our research group based on Fick's second law can be utilized for high-throughput measurement of accurate interdiffusivity matrices in alloys with any number of components. After that, the successful application of the numerical inverse method in the high-throughput measurement of interdiffusivity matrices in alloys is demonstrated in fcc (γ phase of the ternary Ni-Al-Ta system. Moreover, the validation of the resulting composition-dependant and temperature-dependent interdiffusivity matrices is also comprehensively made. Then, this paper summarizes the recent progress in the measurement of interdiffusivity matrices in γ and γ' phases of a series of core ternary Ni-based superalloys achieved in

Immanant Conversion on Symmetric Matrices

Directory of Open Access Journals (Sweden)

Purificação Coelho M.

2014-01-01

Full Text Available Letr Σn(C denote the space of all n χ n symmetric matrices over the complex field C. The main objective of this paper is to prove that the maps Φ : Σn(C -> Σn (C satisfying for any fixed irre- ducible characters X, X' -SC the condition dx(A +aB = dχ·(Φ(Α + αΦ(Β for all matrices A,В ε Σ„(С and all scalars a ε C are automatically linear and bijective. As a corollary of the above result we characterize all such maps Φ acting on ΣИ(С.

High-Energy-Density Metal-Oxygen Batteries: Lithium-Oxygen Batteries vs Sodium-Oxygen Batteries.

Science.gov (United States)

Song, Kyeongse; Agyeman, Daniel Adjei; Park, Mihui; Yang, Junghoon; Kang, Yong-Mook

2017-12-01

The development of next-generation energy-storage devices with high power, high energy density, and safety is critical for the success of large-scale energy-storage systems (ESSs), such as electric vehicles. Rechargeable sodium-oxygen (Na-O 2 ) batteries offer a new and promising opportunity for low-cost, high-energy-density, and relatively efficient electrochemical systems. Although the specific energy density of the Na-O 2 battery is lower than that of the lithium-oxygen (Li-O 2 ) battery, the abundance and low cost of sodium resources offer major advantages for its practical application in the near future. However, little has so far been reported regarding the cell chemistry, to explain the rate-limiting parameters and the corresponding low round-trip efficiency and cycle degradation. Consequently, an elucidation of the reaction mechanism is needed for both lithium-oxygen and sodium-oxygen cells. An in-depth understanding of the differences and similarities between Li-O 2 and Na-O 2 battery systems, in terms of thermodynamics and a structural viewpoint, will be meaningful to promote the development of advanced metal-oxygen batteries. State-of-the-art battery design principles for high-energy-density lithium-oxygen and sodium-oxygen batteries are thus reviewed in depth here. Major drawbacks, reaction mechanisms, and recent strategies to improve performance are also summarized. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Higher Dietary Energy Density is Associated with Stunting but not Overweight and Obesity in a Sample of Urban Malaysian Children.

Science.gov (United States)

Shariff, Zalilah Mohd; Lin, Khor Geok; Sariman, Sarina; Siew, Chin Yit; Yusof, Barakatun Nisak Mohd; Mun, Chan Yoke; Lee, Huang Soo; Mohamad, Maznorila

2016-01-01

Although diets with high energy density are associated with increased risk of overweight and obesity, it is not known whether such diets are associated with undernutrition. This study assessed the relationship between dietary energy density (ED) and nutritional status of 745 urban 1- to 10-year-old children. Dietary intakes were obtained using food recall and record for two days. Dietary energy density was based on food and caloric beverages. Higher dietary ED was associated with lower intakes of carbohydrate, sugar, vitamins C and D, and calcium but higher fat, fiber, iron, and folate intakes. While intakes of fruits and milk/dairy products decreased, meat, fish, and legume intakes increased with higher dietary ED. Stunting, but not other growth problems, was associated with higher dietary ED. Future studies should confirm the cause-and-effect relationship between higher dietary ED and stunting.

Transition-Metal-Free Biomolecule-Based Flexible Asymmetric Supercapacitors.

Science.gov (United States)

Yang, Yun; Wang, Hua; Hao, Rui; Guo, Lin

2016-09-01

A transition-metal-free asymmetric supercapacitor (ASC) is successfully fabricated based on an earth-abundant biomass derived redox-active biomolecule, named lawsone. Such an ASC exhibits comparable or even higher energy densities than most of the recently reported transition-metal-based ASCs, and this green ASC generation from renewable resources is promising for addressing current issues of electronic hazard processing, high cost, and unsustainability. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The 'golden' matrices and a new kind of cryptography

International Nuclear Information System (INIS)

Stakhov, A.P.

2007-01-01

We consider a new class of square matrices called the 'golden' matrices. They are a generalization of the classical Fibonacci Q-matrix for continuous domain. The 'golden' matrices can be used for creation of a new kind of cryptography called the 'golden' cryptography. The method is very fast and simple for technical realization and can be used for cryptographic protection of digital signals (telecommunication and measurement systems)

Advanced incomplete factorization algorithms for Stiltijes matrices

Energy Technology Data Exchange (ETDEWEB)

Il`in, V.P. [Siberian Division RAS, Novosibirsk (Russian Federation)

1996-12-31

The modern numerical methods for solving the linear algebraic systems Au = f with high order sparse matrices A, which arise in grid approximations of multidimensional boundary value problems, are based mainly on accelerated iterative processes with easily invertible preconditioning matrices presented in the form of approximate (incomplete) factorization of the original matrix A. We consider some recent algorithmic approaches, theoretical foundations, experimental data and open questions for incomplete factorization of Stiltijes matrices which are {open_quotes}the best{close_quotes} ones in the sense that they have the most advanced results. Special attention is given to solving the elliptic differential equations with strongly variable coefficients, singular perturbated diffusion-convection and parabolic equations.

On the Eigenvalues and Eigenvectors of Block Triangular Preconditioned Block Matrices

KAUST Repository

Pestana, Jennifer

2014-01-01

Block lower triangular matrices and block upper triangular matrices are popular preconditioners for 2×2 block matrices. In this note we show that a block lower triangular preconditioner gives the same spectrum as a block upper triangular preconditioner and that the eigenvectors of the two preconditioned matrices are related. © 2014 Society for Industrial and Applied Mathematics.

Quantitative characterization of short- and long-chain perfluorinated acids in solid matrices in Shanghai, China.

Science.gov (United States)

Li, Fei; Zhang, Chaojie; Qu, Yan; Chen, Jing; Chen, Ling; Liu, Ying; Zhou, Qi

2010-01-01

Perfluorinated acids (PFAs) have been recognized as emerging environmental pollutants because of their widespread occurrences, persistence, and bioaccumulative and toxicological effects. PFAs have been detected in aquatic environment and biota in China, but the occurrences of these chemicals have not been reported in solid matrices in China. In the present study, short- and long-chain PFAs (C2-C14) have been quantitatively determined in solid matrices including sediments, soils and sludge collected in Shanghai, China. The results indicate that sludge contains more PFAs than sediments and soils, and the total PFAs concentrations in sediments, soil and sludge are 62.5-276 ng g(-1), 141-237 ng g(-1) and 413-755 ng g(-1), respectively. In most cases, trifluoroacetic acid was the major PFA and accounted for 22-90% of the total PFAs. Although the levels of perfluorooctanoate (PFOA) and perfluorooctanesulfonate (PFOS) were not only lower than trifluoroacetic acid, but also lower than some short-chain PFCAs (PFAs, respectively. Meanwhile, unlike previous studies, PFOS levels were not always higher than PFOA in solids collected in Shanghai, China. Given that some short-chain PFAs such as trifluoroacetic acid are mildly phytotoxic and their higher levels in solid matrices were collected in Shanghai, China, these chemicals should be included in future environmental monitoring efforts.

Characteristics of scandate-impregnated cathodes with sub-micron scandia-doped matrices

International Nuclear Information System (INIS)

Yuan Haiqing; Gu Xin; Pan Kexin; Wang Yiman; Liu Wei; Zhang Ke; Wang Jinshu; Zhou Meiling; Li Ji

2005-01-01

We describe in this paper scandate-impregnated cathodes with sub-micron scandia-doped tungsten matrices having an improved uniformity of the Sc distribution. The scandia-doped tungsten powders were made by both liquid-solid doping and liquid-liquid doping methods on the basis of previous research. By improving pressing, sintering and impregnating procedures, we have obtained scandate-impregnated cathodes with a good uniformity of the Sc 2 O 3 - distribution. The porosity of the sub-micron structure matrix and content of impregnants inside the matrix are similar to those of conventionally impregnated cathodes. Space charge limited current densities of more than 30 A/cm 2 at 850 deg. C b have been obtained in a reproducible way. The current density continuously increases during the first 2000 h life test at 950 deg. C b with a dc load of 2 A/cm 2 and are stable for at least 3000 h

A Survey of Metal Lines at High Redshift. II. SDSS Absorption Line Studies—O VI Line Density, Space Density, and Gas Metallicity at z abs ~ 3.0

Science.gov (United States)

Frank, S.; Mathur, S.; Pieri, M.; York, D. G.

2010-09-01

We have analyzed a large data set of O VI absorber candidates found in the spectra of 3702 Sloan Digital Sky Survey (SDSS) quasars, focusing on a subsample of 387 active galactic nuclei sight lines with an average S/N >=5.0, allowing for the detection of absorbers above a rest-frame equivalent width limit of W r >= 0.19 Å for the O VI 1032 Å component. Accounting for random interlopers mimicking an O VI doublet, we derive for the first time a secure lower limit for the redshift number density ΔN/Δz for redshifts z abs >= 2.8. With extensive Monte Carlo simulations, we quantify the losses of absorbers due to blending with the ubiquitous Lyα forest lines and estimate the success rate of retrieving each individual candidate as a function of its redshift, the emission redshift of the quasar, the strength of the absorber, and the measured signal-to-noise ratio (S/N) of the spectrum by modeling typical Lyman forest spectra. These correction factors allow us to derive the "incompleteness and S/N-corrected" redshift number densities of O VI absorbers: ΔN O VI,c /Δzc (2.8 secure lower limit for the contribution of O VI to the closure mass density at the redshifts probed here: ΩO VI (2.8 = 1.9 × 10-8 h -1. We show that the strong lines we probe account for over 65% of the mass in the O VI absorbers; the weak absorbers, while dominant in line number density, do not contribute significantly to the mass density. Making a conservative assumption about the ionization fraction, {O VI}/{O}, and adopting the Anders & Grevesse solar abundance values, we derive the mean metallicity of the gas probed in our search: ζ(2.8 = 3.6 × 10-4 h, in good agreement with other studies. These results demonstrate that large spectroscopic data sets such as SDSS can play an important role in QSO absorption line studies, in spite of the relatively low resolution.

On Investigating GMRES Convergence using Unitary Matrices

Czech Academy of Sciences Publication Activity Database

Duintjer Tebbens, Jurjen; Meurant, G.; Sadok, H.; Strakoš, Z.

2014-01-01

Roč. 450, 1 June (2014), s. 83-107 ISSN 0024-3795 Grant - others:GA AV ČR(CZ) M100301201; GA MŠk(CZ) LL1202 Institutional support: RVO:67985807 Keywords : GMRES convergence * unitary matrices * unitary spectra * normal matrices * Krylov residual subspace * Schur parameters Subject RIV: BA - General Mathematics Impact factor: 0.939, year: 2014

"G.P.S Matrices" programme: A method to improve the mastery level of social science students in matrices operations

Science.gov (United States)

Lee, Ken Voon

2013-04-01

The purpose of this action research was to increase the mastery level of Form Five Social Science students in Tawau II National Secondary School in the operations of addition, subtraction and multiplication of matrices in Mathematics. A total of 30 students were involved. Preliminary findings through the analysis of pre-test results and questionnaire had identified the main problem faced in which the students felt confused with the application of principles of the operations of matrices when performing these operations. Therefore, an action research was conducted using an intervention programme called "G.P.S Matrices" to overcome the problem. This programme was divided into three phases. 'Gift of Matrices' phase aimed at forming matrix teaching aids. The second and third phases were 'Positioning the Elements of Matrices' and 'Strenghtening the Concept of Matrices'. These two phases were aimed at increasing the level of understanding and memory of the students towards the principles of matrix operations. Besides, this third phase was also aimed at creating an interesting learning environment. A comparison between the results of pre-test and post-test had shown a remarkable improvement in students' performances after implementing the programme. In addition, the analysis of interview findings also indicated a positive feedback on the changes in students' attitude, particularly in the aspect of students' understanding level. Moreover, the level of students' memory also increased following the use of the concrete matrix teaching aids created in phase one. Besides, teachers felt encouraging when conducive learning environment was created through students' presentation activity held in third phase. Furthermore, students were voluntarily involved in these student-centred activities. In conclusion, this research findings showed an increase in the mastery level of students in these three matrix operations and thus the objective of the research had been achieved.

Hybrid metallic nanocomposites for extra wear-resistant diamond machining tools

DEFF Research Database (Denmark)

Loginov, P.A.; Sidorenko, D.A.; Levashov, E.A.

2018-01-01

The applicability of metallic nanocomposites as binder for diamond machining tools is demonstrated. The various nanoreinforcements (carbon nanotubes, boron nitride hBN, nanoparticles of tungsten carbide/WC) and their combinations are embedded into metallic matrices and their mechanical properties...... are determined in experiments. The wear resistance of diamond tools with metallic binders modified by various nanoreinforcements was estimated. 3D hierarchical computational finite element model of the tool binder with hybrid nanoscale reinforcements is developed, and applied for the structure...

High power densities from high-temperature material interactions. [in thermionic energy conversion and metallic fluid heat pipes

Science.gov (United States)

Morris, J. F.

1981-01-01

Thermionic energy conversion (TEC) and metallic-fluid heat pipes (MFHPs), offering unique advantages in terrestrial and space energy processing by virtue of operating on working-fluid vaporization/condensation cycles that accept great thermal power densities at high temperatures, share complex materials problems. Simplified equations are presented that verify and solve such problems, suggesting the possibility of cost-effective applications in the near term for TEC and MFHP devices. Among the problems discussed are: the limitation of alkali-metal corrosion, protection against hot external gases, external and internal vaporization, interfacial reactions and diffusion, expansion coefficient matching, and creep deformation.

Injectable dextran hydrogels fabricated by metal-free click chemistry for cartilage tissue engineering.

Science.gov (United States)

Wang, Xiaoyu; Li, Zihan; Shi, Ting; Zhao, Peng; An, Kangkang; Lin, Chao; Liu, Hongwei

2017-04-01

Injectable dextran-based hydrogels were prepared for the first time by bioorthogonal click chemistry for cartilage tissue engineering. Click-crosslinked injectable hydrogels based on cyto-compatible dextran (Mw=10kDa) were successfully fabricated under physiological conditions by metal-free alkyne-azide cycloaddition (click) reaction between azadibenzocyclooctyne-modified dextran (Dex-ADIBO) and azide-modified dextran (Dex-N 3 ). Gelation time of these dextran hydrogels could be regulated in the range of approximately 1.1 to 10.2min, depending on the polymer concentrations (5% or 10%) and ADIBO substitution degree (DS, 5 or 10) of Dex-ADIBO. Rheological analysis indicated that the dextran hydrogels were elastic and had storage moduli from 2.1 to 6.0kPa with increasing DS of ADIBO from 5 to 10. The in vitro tests revealed that the dextran hydrogel crosslinked from Dex-ADIBO DS 10 and Dex-N 3 DS 10 at a polymer concentration of 10% could support high viability of individual rabbit chondrocytes and the chondrocyte spheroids encapsulated in the hydrogel over 21days. Individual chondrocytes and chondrocyte spheroids in the hydrogel could produce cartilage matrices such as collagen and glycosaminoglycans. However, the chondrocyte spheroids produced a higher content of matrices than individual chondrocytes. This study indicates that metal-free click chemistry is effective to produce injectable dextran hydrogels for cartilage tissue engineering. Copyright © 2016 Elsevier B.V. All rights reserved.

A comparison of different methods to implement higher order derivatives of density functionals

Energy Technology Data Exchange (ETDEWEB)

van Dam, Hubertus J.J. [Brookhaven National Lab. (BNL), Upton, NY (United States)

2016-05-18

Density functional theory is the dominant approach in electronic structure methods today. To calculate properties higher order derivatives of the density functionals are required. These derivatives might be implemented manually,by automatic differentiation, or by symbolic algebra programs. Different authors have cited different reasons for using the particular method of their choice. This paper presents work where all three approaches were used and the strengths and weaknesses of each approach are considered. It is found that all three methods produce code that is suffficiently performanted for practical applications, despite the fact that our symbolic algebra generated code and our automatic differentiation code still have scope for significant optimization. The automatic differentiation approach is the best option for producing readable and maintainable code.

Time-Dependent Density Functional Theory Analysis of Triphenylamine-Functionalized Graphene Doped with Transition Metals for Photocatalytic Hydrogen Production.

Science.gov (United States)

Mota, Elder A V; Neto, Abel F G; Marques, Francisco C; Mota, Gunar V S; Martins, Marcelo G; Costa, Fabio L P; Borges, Rosivaldo S; Neto, Antonio M J C

2018-07-01

The electronic structures and optical properties of triphenylamine-functionalized graphene (G-TPA) doped with transition metals, using water as a solvent, were theoretically investigated to verify the efficiency of photocatalytic hydrogen production with the use of transition metals. This study was performed by Density Functional Theory and Time-dependent Density Functional Theory through Gaussian 09W software, adopting the B3LYP functional for all structures. The 6-31g(d) basis set was used for H, C and N atoms, and the LANL2DZ basis set for transition metals using the Effective Core Potentials method. Two approaches were adopted: (1) using single metallic dopants (Ni, Pd, Fe, Os and Pt) and (2) using combinations of Ni with the other dopants (NiPd, NiPt, NiFe and NiOs). The DOS spectra reveal an increase of accessible states in the valence shell, in addition to a gap decrease for all dopants. This doping also increases the absorption in the visible region of solar radiation where sunlight is most intense (400 nm to 700 nm), with additional absorption peaks. The results lead us to propose the G-TPA structures doped with Ni, Pd, Pt, NiPt or NiPd to be novel catalysts for the conversion of solar energy for photocatalytic hydrogen production, since they improve the absorption of solar energy in the range of interest for solar radiation; and act as reaction centers, reducing the required overpotential for hydrogen production from water.

CONVERGENCE OF POWERS OF CONTROLLABLE INTUITIONISTIC FUZZY MATRICES

OpenAIRE

Riyaz Ahmad Padder; P. Murugadas

2016-01-01

Convergences of powers of controllable intuitionistic fuzzy matrices have been stud¬ied. It is shown that they oscillate with period equal to 2, in general. Some equalities and sequences of inequalities about powers of controllable intuitionistic fuzzy matrices have been obtained.

Analytic expressions for the dielectric screening function of strongly coupled electron liquids at metallic and lower densities

International Nuclear Information System (INIS)

Ishimaru, S.; Utsumi, K.

1981-01-01

We propose a fitting formula for the dielectric screening function of the degenerate electron liquids at metallic and lower densities which accurately reproduces the recent Monte Carlo results as well as those of the microscopic calculations, and which satisfies the self-consistency conditions in the compressibility sum rule and the short-range correlation

Multimodal approach to characterization of hydrophilic matrices manufactured by wet and dry granulation or direct compression methods.

Science.gov (United States)

Kulinowski, Piotr; Woyna-Orlewicz, Krzysztof; Obrał, Jadwiga; Rappen, Gerd-Martin; Haznar-Garbacz, Dorota; Węglarz, Władysław P; Jachowicz, Renata; Wyszogrodzka, Gabriela; Klaja, Jolanta; Dorożyński, Przemysław P

2016-02-29

The purpose of the research was to investigate the effect of the manufacturing process of the controlled release hydrophilic matrix tablets on their hydration behavior, internal structure and drug release. Direct compression (DC) quetiapine hemifumarate matrices and matrices made of powders obtained by dry granulation (DG) and high shear wet granulation (HS) were prepared. They had the same quantitative composition and they were evaluated using X-ray microtomography, magnetic resonance imaging and biorelevant stress test dissolution. Principal results concerned matrices after 2 h of hydration: (i) layered structure of the DC and DG hydrated tablets with magnetic resonance image intensity decreasing towards the center of the matrix was observed, while in HS matrices layer of lower intensity appeared in the middle of hydrated part; (ii) the DC and DG tablets retained their core and consequently exhibited higher resistance to the physiological stresses during simulation of small intestinal passage than HS formulation. Comparing to DC, HS granulation changed properties of the matrix in terms of hydration pattern and resistance to stress in biorelevant dissolution apparatus. Dry granulation did not change these properties-similar hydration pattern and dissolution in biorelevant conditions were observed for DC and DG matrices. Copyright © 2015 Elsevier B.V. All rights reserved.

Loop diagrams without γ matrices

International Nuclear Information System (INIS)

McKeon, D.G.C.; Rebhan, A.

1993-01-01

By using a quantum-mechanical path integral to compute matrix elements of the form left-angle x|exp(-iHt)|y right-angle, radiative corrections in quantum-field theory can be evaluated without encountering loop-momentum integrals. In this paper we demonstrate how Dirac γ matrices that occur in the proper-time ''Hamiltonian'' H lead to the introduction of a quantum-mechanical path integral corresponding to a superparticle analogous to one proposed recently by Fradkin and Gitman. Direct evaluation of this path integral circumvents many of the usual algebraic manipulations of γ matrices in the computation of quantum-field-theoretical Green's functions involving fermions

Classification en référence à une matrice stochastique

OpenAIRE

Verdun , Stéphane; Cariou , Véronique; Qannari , El Mostafa

2009-01-01

International audience; Etant donné un tableau de données X portant sur un ensemble de n objets, et une matrice stochastique S qui peut être assimilée à une matrice de transition d'une chaîne de Markov, nous proposons une méthode de partitionnement consistant à appliquer la matrice S sur X de manière itérative jusqu'à convergence. Les classes formant la partition sont déterminées à partir des états stationnaires de la matrice stochastique. Cette matrice stochastique peut être issue d'une matr...

Quasi Cyclic Low Density Parity Check Code for High SNR Data Transfer

Directory of Open Access Journals (Sweden)

M. R. Islam

2010-06-01

Full Text Available An improved Quasi Cyclic Low Density Parity Check code (QC-LDPC is proposed to reduce the complexity of the Low Density Parity Check code (LDPC while obtaining the similar performance. The proposed QC-LDPC presents an improved construction at high SNR with circulant sub-matrices. The proposed construction yields a performance gain of about 1 dB at a 0.0003 bit error rate (BER and it is tested on 4 different decoding algorithms. Proposed QC-LDPC is compared with the existing QC-LDPC and the simulation results show that the proposed approach outperforms the existing one at high SNR. Simulations are also performed varying the number of horizontal sub matrices and the results show that the parity check matrix with smaller horizontal concatenation shows better performance.

Capture Matrices Handbook

Science.gov (United States)

2014-04-01

materials, the affinity ligand would need identification , as well as chemistries that graft the affinity ligand onto the surface of magnetic...ACTIVE CAPTURE MATRICES FOR THE DETECTION/ IDENTIFICATION OF PHARMACEUTICALS...6 As shown in Figure 2.3-1a, the spectra exhibit similar baselines and the spectral peaks lineup . Under these circumstances, the spectral

Binary Positive Semidefinite Matrices and Associated Integer Polytopes

DEFF Research Database (Denmark)

Letchford, Adam N.; Sørensen, Michael Malmros

2012-01-01

We consider the positive semidefinite (psd) matrices with binary entries, along with the corresponding integer polytopes. We begin by establishing some basic properties of these matrices and polytopes. Then, we show that several families of integer polytopes in the literature-the cut, boolean qua...

Chain of matrices, loop equations and topological recursion

CERN Document Server

Orantin, Nicolas

2009-01-01

Random matrices are used in fields as different as the study of multi-orthogonal polynomials or the enumeration of discrete surfaces. Both of them are based on the study of a matrix integral. However, this term can be confusing since the definition of a matrix integral in these two applications is not the same. These two definitions, perturbative and non-perturbative, are discussed in this chapter as well as their relation. The so-called loop equations satisfied by integrals over random matrices coupled in chain is discussed as well as their recursive solution in the perturbative case when the matrices are Hermitean.

Bump Bonding Using Metal-Coated Carbon Nanotubes

Science.gov (United States)

Lamb, James L.; Dickie, Matthew R.; Kowalczyk, Robert S.; Liao, Anna; Bronikowski, Michael J.

2012-01-01

Bump bonding hybridization techniques use arrays of indium bumps to electrically and mechanically join two chips together. Surface-tension issues limit bump sizes to roughly as wide as they are high. Pitches are limited to 50 microns with bumps only 8-14 microns high on each wafer. A new process uses oriented carbon nanotubes (CNTs) with a metal (indium) in a wicking process using capillary actions to increase the aspect ratio and pitch density of the connections for bump bonding hybridizations. It merges the properties of the CNTs and the metal bumps, providing enhanced material performance parameters. By merging the bumps with narrow and long CNTs oriented in the vertical direction, higher aspect ratios can be obtained if the metal can be made to wick. Possible aspect ratios increase from 1:1 to 20:1 for most applications, and to 100:1 for some applications. Possible pitch density increases of a factor of 10 are possible. Standard capillary theory would not normally allow indium or most other metals to be drawn into the oriented CNTs, because they are non-wetting. However, capillary action can be induced through the ability to fabricate oriented CNT bundles to desired spacings, and the use of deposition techniques and temperature to control the size and mobility of the liquid metal streams and associated reservoirs. This hybridization of two technologies (indium bumps and CNTs) may also provide for some additional benefits such as improved thermal management and possible current density increases.

Theoretical Properties for Neural Networks with Weight Matrices of Low Displacement Rank

OpenAIRE

Zhao, Liang; Liao, Siyu; Wang, Yanzhi; Li, Zhe; Tang, Jian; Pan, Victor; Yuan, Bo

2017-01-01

Recently low displacement rank (LDR) matrices, or so-called structured matrices, have been proposed to compress large-scale neural networks. Empirical results have shown that neural networks with weight matrices of LDR matrices, referred as LDR neural networks, can achieve significant reduction in space and computational complexity while retaining high accuracy. We formally study LDR matrices in deep learning. First, we prove the universal approximation property of LDR neural networks with a ...

The Modern Origin of Matrices and Their Applications

Science.gov (United States)

Debnath, L.

2014-01-01

This paper deals with the modern development of matrices, linear transformations, quadratic forms and their applications to geometry and mechanics, eigenvalues, eigenvectors and characteristic equations with applications. Included are the representations of real and complex numbers, and quaternions by matrices, and isomorphism in order to show…

Three-dimensional neural differentiation of embryonic stem cells with ACM induction in microfibrous matrices in bioreactors.

Science.gov (United States)

Liu, Ning; Ouyang, Anli; Li, Yan; Yang, Shang-Tian

2013-01-01

The clinical use of pluripotent stem cell (PSC)-derived neural cells requires an efficient differentiation process for mass production in a bioreactor. Toward this goal, neural differentiation of murine embryonic stem cells (ESCs) in three-dimensional (3D) polyethylene terephthalate microfibrous matrices was investigated in this study. To streamline the process and provide a platform for process integration, the neural differentiation of ESCs was induced with astrocyte-conditioned medium without the formation of embryoid bodies, starting from undifferentiated ESC aggregates expanded in a suspension bioreactor. The 3D neural differentiation was able to generate a complex neural network in the matrices. When compared to 2D differentiation, 3D differentiation in microfibrous matrices resulted in a higher percentage of nestin-positive cells (68% vs. 54%) and upregulated gene expressions of nestin, Nurr1, and tyrosine hydroxylase. High purity of neural differentiation in 3D microfibrous matrix was also demonstrated in a spinner bioreactor with 74% nestin + cells. This study demonstrated the feasibility of a scalable process based on 3D differentiation in microfibrous matrices for the production of ESC-derived neural cells. © 2013 American Institute of Chemical Engineers.

Flux Jacobian Matrices For Equilibrium Real Gases

Science.gov (United States)

Vinokur, Marcel

1990-01-01

Improved formulation includes generalized Roe average and extension to three dimensions. Flux Jacobian matrices derived for use in numerical solutions of conservation-law differential equations of inviscid flows of ideal gases extended to real gases. Real-gas formulation of these matrices retains simplifying assumptions of thermodynamic and chemical equilibrium, but adds effects of vibrational excitation, dissociation, and ionization of gas molecules via general equation of state.

Almost commuting self-adjoint matrices: The real and self-dual cases

Science.gov (United States)

Loring, Terry A.; Sørensen, Adam P. W.

2016-08-01

We show that a pair of almost commuting self-adjoint, symmetric matrices is close to a pair of commuting self-adjoint, symmetric matrices (in a uniform way). Moreover, we prove that the same holds with self-dual in place of symmetric and also for paths of self-adjoint matrices. Since a symmetric, self-adjoint matrix is real, we get a real version of Huaxin Lin’s famous theorem on almost commuting matrices. Similarly, the self-dual case gives a version for matrices over the quaternions. To prove these results, we develop a theory of semiprojectivity for real C*-algebras and also examine various definitions of low-rank for real C*-algebras.

Forecasting Covariance Matrices: A Mixed Frequency Approach

DEFF Research Database (Denmark)

Halbleib, Roxana; Voev, Valeri

This paper proposes a new method for forecasting covariance matrices of financial returns. The model mixes volatility forecasts from a dynamic model of daily realized volatilities estimated with high-frequency data with correlation forecasts based on daily data. This new approach allows for flexi......This paper proposes a new method for forecasting covariance matrices of financial returns. The model mixes volatility forecasts from a dynamic model of daily realized volatilities estimated with high-frequency data with correlation forecasts based on daily data. This new approach allows...... for flexible dependence patterns for volatilities and correlations, and can be applied to covariance matrices of large dimensions. The separate modeling of volatility and correlation forecasts considerably reduces the estimation and measurement error implied by the joint estimation and modeling of covariance...

Propositional matrices as alternative representation of truth values ...

African Journals Online (AJOL)

The paper considered the subject of representation of truth values in symbolic logic. An alternative representation was given based on the rows and columns properties of matrices, with the operations involving the logical connectives subjected to the laws of algebra of propositions. Matrices of various propositions detailing ...

heavy metal profiles in various matrices of the bonny/new calabar ...

African Journals Online (AJOL)

PROF EKWUEME

Nigeria's foreign exchange earnings through oil ... B. B. Babatunde, Centre for Marine Pollution Monitoring and Seafood Safety, University of .... calculated using Microsoft Excel package 2010. ..... effects of heavy metals such as Pb, Zn, Cr, Cd.

Soil salinity and matric potential interaction on water use, water use efficiency and yield response factor of bean and wheat.

Science.gov (United States)

Khataar, Mahnaz; Mohhamadi, Mohammad Hossien; Shabani, Farzin

2018-02-08

We studied the effects of soil matric potential and salinity on the water use (WU), water use efficiency (WUE) and yield response factor (Ky), for wheat (Triticum aestivum cv. Mahdavi) and bean (Phaseoulus vulgaris cv. COS16) in sandy loam and clay loam soils under greenhouse conditions. Results showed that aeration porosity is the predominant factor controlling WU, WUE, Ky and shoot biomass (Bs) at high soil water potentials. As matric potential was decreased, soil aeration improved, with Bs, WU and Ky reaching maximum value at -6 to -10 kPa, under all salinities. Wheat WUE remained almost unchanged by reduction of matric potential under low salinities (EC ≤ 8 dSm -1 ), but increased under higher salinities (EC ≥ 8 dSm -1 ), as did bean WUE at all salinities, as matric potential decreased to -33 kPa. Wheat WUE exceeds that of bean in both sandy loam and clay loam soils. WUE of both plants increased with higher shoot/root ratio and a high correlation coefficient exists between them. Results showed that salinity decreases all parameters, particularly at high potentials (h = -2 kPa), and amplifies the effects of waterlogging. Further, we observed a strong relationship between transpiration (T) and root respiration (Rr) for all experiments.

Wishart and anti-Wishart random matrices

International Nuclear Information System (INIS)

Janik, Romuald A; Nowak, Maciej A

2003-01-01

We provide a compact exact representation for the distribution of the matrix elements of the Wishart-type random matrices A † A, for any finite number of rows and columns of A, without any large N approximations. In particular, we treat the case when the Wishart-type random matrix contains redundant, non-random information, which is a new result. This representation is of interest for a procedure for reconstructing the redundant information hidden in Wishart matrices, with potential applications to numerous models based on biological, social and artificial intelligence networks

Supercritical fluid extraction behaviour of polymer matrices

International Nuclear Information System (INIS)

Sujatha, K.; Kumar, R.; Sivaraman, N.; Srinivasan, T.G.; Vasudeva Rao, P.R.

2007-01-01

Organic compounds present in polymeric matrices such as neoprene, surgical gloves and PVC were co-extracted during the removal of uranium using supercritical fluid extraction (SFE) technique. Hence SFE studies of these matrices were carried out to establish the extracted species using HPLC, IR and mass spectrometry techniques. The initial study indicated that uranium present in the extract could be purified from the co-extracted organic species. (author)

The large-scale structure of the halo of the Andromeda galaxy. I. Global stellar density, morphology and metallicity properties

Energy Technology Data Exchange (ETDEWEB)

Ibata, Rodrigo A.; Martin, Nicolas F. [Observatoire astronomique de Strasbourg, Université de Strasbourg, CNRS, UMR 7550, 11 rue de lUniversité, F-67000 Strasbourg (France); Lewis, Geraint F. [Institute of Astronomy, School of Physics A28, University of Sydney, NSW 2006 (Australia); McConnachie, Alan W. [NRC Herzberg Institute of Astrophysics, 5071 West Saanich Road, Victoria, BC, V9E 2E7 (Canada); Irwin, Michael J. [Institute of Astronomy, University of Cambridge, Madingley Road, Cambridge CB3 0HA (United Kingdom); Ferguson, Annette M. N.; Bernard, Edouard J.; Peñarrubia, Jorge [Institute for Astronomy, University of Edinburgh, Blackford Hill, Edinburgh EH9 3HJ (United Kingdom); Babul, Arif; Navarro, Julio [Department of Physics and Astronomy, University of Victoria, 3800 Finnerty Road, Victoria, British Columbia V8P 5C2 (Canada); Chapman, Scott C. [Department of Physics and Atmospheric Science, Dalhousie University, 6310 Coburg Road, Halifax NS B3H 4R2 (Canada); Collins, Michelle [Max-Planck-Institut für Astronomie, Königstuhl 17, D-69117 Heidelberg (Germany); Fardal, Mark [University of Massachusetts, Department of Astronomy, LGRT 619-E, 710 North Pleasant Street, Amherst, MA 01003-9305 (United States); Mackey, A. D. [RSAA, The Australian National University, Mount Stromlo Observatory, Cotter Road, Weston Creek ACT 2611 (Australia); Rich, R. Michael [Department of Physics and Astronomy, University of California, Los Angeles, PAB, 430 Portola Plaza, Los Angeles, CA 90095-1547 (United States); Tanvir, Nial [Department of Physics and Astronomy, University of Leicester, University Road, Leicester LE1 7RH (United Kingdom); Widrow, Lawrence, E-mail: rodrigo.ibata@astro.unistra.fr [Department of Physics, Engineering Physics, and Astronomy Queen' s University, Kingston, Ontario K7L 3N6 (Canada)

2014-01-10

We present an analysis of the large-scale structure of the halo of the Andromeda galaxy, based on the Pan-Andromeda Archeological Survey (PAndAS), currently the most complete map of resolved stellar populations in any galactic halo. Despite the presence of copious substructures, the global halo populations follow closely power-law profiles that become steeper with increasing metallicity. We divide the sample into stream-like populations and a smooth halo component (defined as the population that cannot be resolved into spatially distinct substructures with PAndAS). Fitting a three-dimensional halo model reveals that the most metal-poor populations ([Fe/H]<−1.7) are distributed approximately spherically (slightly prolate with ellipticity c/a = 1.09 ± 0.03), with only a relatively small fraction residing in discernible stream-like structures (f {sub stream} = 42%). The sphericity of the ancient smooth component strongly hints that the dark matter halo is also approximately spherical. More metal-rich populations contain higher fractions of stars in streams, with f {sub stream} becoming as high as 86% for [Fe/H]>−0.6. The space density of the smooth metal-poor component has a global power-law slope of γ = –3.08 ± 0.07, and a non-parametric fit shows that the slope remains nearly constant from 30 kpc to ∼300 kpc. The total stellar mass in the halo at distances beyond 2° is ∼1.1 × 10{sup 10} M {sub ☉}, while that of the smooth component is ∼3 × 10{sup 9} M {sub ☉}. Extrapolating into the inner galaxy, the total stellar mass of the smooth halo is plausibly ∼8 × 10{sup 9} M {sub ☉}. We detect a substantial metallicity gradient, which declines from ([Fe/H]) = –0.7 at R = 30 kpc to ([Fe/H]) = –1.5 at R = 150 kpc for the full sample, with the smooth halo being ∼0.2 dex more metal poor than the full sample at each radius. While qualitatively in line with expectations from cosmological simulations, these observations are of great importance as

Universal correlations and power-law tails in financial covariance matrices

Science.gov (United States)

Akemann, G.; Fischmann, J.; Vivo, P.

2010-07-01

We investigate whether quantities such as the global spectral density or individual eigenvalues of financial covariance matrices can be best modelled by standard random matrix theory or rather by its generalisations displaying power-law tails. In order to generate individual eigenvalue distributions a chopping procedure is devised, which produces a statistical ensemble of asset-price covariances from a single instance of financial data sets. Local results for the smallest eigenvalue and individual spacings are very stable upon reshuffling the time windows and assets. They are in good agreement with the universal Tracy-Widom distribution and Wigner surmise, respectively. This suggests a strong degree of robustness especially in the low-lying sector of the spectra, most relevant for portfolio selections. Conversely, the global spectral density of a single covariance matrix as well as the average over all unfolded nearest-neighbour spacing distributions deviate from standard Gaussian random matrix predictions. The data are in fair agreement with a recently introduced generalised random matrix model, with correlations showing a power-law decay.

General atomistic approach for modeling metal-semiconductor interfaces using density functional theory and nonequilibrium Green's function

DEFF Research Database (Denmark)

Stradi, Daniele; Martinez, Umberto; Blom, Anders

2016-01-01

Metal-semiconductor contacts are a pillar of modern semiconductor technology. Historically, their microscopic understanding has been hampered by the inability of traditional analytical and numerical methods to fully capture the complex physics governing their operating principles. Here we introduce...... an atomistic approach based on density functional theory and nonequilibrium Green's function, which includes all the relevant ingredients required to model realistic metal-semiconductor interfaces and allows for a direct comparison between theory and experiments via I-Vbias curve simulations. We apply...... interfaces as it neglects electron tunneling, and that finite-size atomistic models have problems in describing these interfaces in the presence of doping due to a poor representation of space-charge effects. Conversely, the present method deals effectively with both issues, thus representing a valid...

EFFECT OF GALACTO-OLIGOSACCHARIDES:MALTODEXTRIN MATRICES ON THE RECOVERY OF LACTOBACILLUS PLANTARUM AFTER SPRAY-DRYING

Directory of Open Access Journals (Sweden)

Natalia eSosa

2016-05-01

Full Text Available In this work maltodextrins were added to commercial GOS in a 1:1 ratio and their thermophysical characteristics were analyzed. GOS:MD solutions were then used as matrices during spray-drying of L. plantarum CIDCA 83114. The obtained powders were equilibrated at different relative humidities (RH and stored at 5 and 20ºC for 12 weeks, or at 30ºC for 6 weeks.The Tgs of GOS:MD matrices were about 20-30oC higher than those of GOS at RH within 11 and 52%. A linear relation between the spin-spin relaxation time (T2 and T-Tg parameter was observed for GOS:MD matrices equilibrated at 11, 22, 33 and 44% RH at 5, 20 and 30ºC.Spray-drying of L. plantarum CIDCA 83114 in GOS:MD matrices allowed the recovery of 93% microorganisms. In contrast, only 64% microorganisms were recovered when no MD were included in the dehydration medium. Survival of L. plantarum CIDCA 83114 during storage showed the best performance for bacteria stored at 5oC. In a further step, the slopes of the linear regressions provided information about the rate of microbial inactivation for each storage condition (k values. This information can be useful to calculate the shelf-life of spray-dried starters stored at different temperatures and RH. Using GOS:MD matrices as a dehydration medium enhanced the recovery of L. plantarum CIDCA 83114 after spray-drying. This strategy allowed for the first time the spray-drying stabilization of a potentially probiotic strain in the presence of GOS.

Distributed material density and anisotropy for optimized eigenfrequency of 2D continua

DEFF Research Database (Denmark)

Pedersen, Pauli; Pedersen, Niels Leergaard

2015-01-01

A practical approach to optimize a continuum/structural eigenfrequency is presented, including design of the distribution of material anisotropy. This is often termed free material optimization (FMO). An important aspect is the separation of the overall material distribution from the local design...... with respect to material density and from this values of the element OC. Each factor of this expression has a physical interpretation. Stated alternatively, the optimization problem of material distribution is converted into a problem of determining a design of uniform OC values. The constitutive matrices...... are described by non-dimensional matrices with unity norms of trace and Frobenius, and thus this part of the optimized design has no influence on the mass distribution. Gradients of eigenfrequency with respect to the components of these non-dimensional constitutive matrices are therefore simplified...

Density functional theory for adsorption of gas mixtures in metal-organic frameworks.

Science.gov (United States)

Liu, Yu; Liu, Honglai; Hu, Ying; Jiang, Jianwen

2010-03-04

In this work, a recently developed density functional theory in three-dimensional space was extended to the adsorption of gas mixtures. Weighted density approximations to the excess free energy with different weighting functions were adopted for both repulsive and attractive contributions. An equation of state for hard-sphere mixtures and a modified Benedict-Webb-Rubin equation for Lennard-Jones mixtures were used to estimate the excess free energy of a uniform fluid. The theory was applied to the adsorption of CO(2)/CH(4) and CO(2)/N(2) mixtures in two metal-organic frameworks: ZIF-8 and Zn(2)(BDC)(2)(ted). To validate the theoretical predictions, grand canonical Monte Carlo simulations were also conducted. The predicted adsorption and selectivity from DFT were found to agree well with the simulation results. CO(2) has stronger adsorption than CH(4) and N(2), particularly in Zn(2)(BDC)(2)(ted). The selectivity of CO(2) over CH(4) or N(2) increases with increasing pressure as attributed to the cooperative interactions of adsorbed CO(2) molecules. The composition of the gas mixture exhibits a significant effect on adsorption but not on selectivity.

Extraction process for removing metallic impurities from alkalide metals

Science.gov (United States)

Royer, Lamar T.

1988-01-01

A development is described for removing metallic impurities from alkali metals by employing an extraction process wherein the metallic impurities are extracted from a molten alkali metal into molten lithium metal due to the immiscibility of the alkali metals in lithium and the miscibility of the metallic contaminants or impurities in the lithium. The purified alkali metal may be readily separated from the contaminant-containing lithium metal by simple decanting due to the differences in densities and melting temperatures of the alkali metals as compared to lithium.

Evaluation of hydrophobic materials as matrices for controlled-release drug delivery.

Science.gov (United States)

Quadir, Mohiuddin Abdul; Rahman, M Sharifur; Karim, M Ziaul; Akter, Sanjida; Awkat, M Talat Bin; Reza, Md Selim

2003-07-01

The present study was undertaken to evaluate the effect of different insoluble and erodable wax-lipid based materials and their content level on the release profile of drug from matrix systems. Matrix tablets of theophylline were prepared using carnauba wax, bees wax, stearic acid, cetyl alcohol, cetostearyl alcohol and glyceryl monostearate as rate-retarding agents by direct compression process. The release of theophylline from these hydrophobic matrices was studied over 8-hours in buffer media of pH 6.8. Statistically significant difference was found among the drug release profile from different matrices. The release kinetics was found to be governed by the type and content of hydrophobic materials in the matrix. At lower level of wax matrices (25%), a potential burst release was observed with all the materials being studied. Bees wax could not exert any sustaining action while an extensive burst release was found with carnauba wax at this hydrophobic load. Increasing the concentration of fat-wax materials significantly decreased the burst effect of drug from the matrix. At higher hydrophobic level (50% of the matrix), the rate and extent of drug release was significantly reduced due to increased tortuosity and reduced porosity of the matrix. Cetostearyl alcohol imparted the strongest retardation of drug release irrespective of fat-wax level. Numerical fits indicate that the Higuchi square root of time model was the most appropriate one for describing the release profile of theophylline from hydrophobic matrices. The release mechanism was also explored and explained with biexponential equation. Application of this model indicates that Fickian or case I kinetics is the predominant mechanism of drug release from these wax-lipid matrices. The mean dissolution time (MDT) was calculated for all the formulations and the highest MDT value was obtained with cetostearyl matrix. The greater sustaining activity of cetostearyl alcohol can be attributed to some level of

Tables of density dependent effective interactions between 122 and 800 MeV

International Nuclear Information System (INIS)

Dortmans, P.J.; Amos, K.

1996-01-01

Coordinate space density dependent effective nucleon-nucleon interaction based upon half-off-shell t and g-matrices are presented. These interactions are based upon the Paris interactions and are presented over a range of energies. 5 refs., 8 tabs

Spin-exchange interaction between transition metals and metalloids in soft-ferromagnetic metallic glasses

Science.gov (United States)

Das, Santanu; Choudhary, Kamal; Chernatynskiy, Aleksandr; Choi Yim, Haein; Bandyopadhyay, Asis K.; Mukherjee, Sundeep

2016-06-01

High-performance magnetic materials have immense industrial and scientific importance in wide-ranging electronic, electromechanical, and medical device technologies. Metallic glasses with a fully amorphous structure are particularly suited for advanced soft-magnetic applications. However, fundamental scientific understanding is lacking for the spin-exchange interaction between metal and metalloid atoms, which typically constitute a metallic glass. Using an integrated experimental and molecular dynamics approach, we demonstrate the mechanism of electron interaction between transition metals and metalloids. Spin-exchange interactions were investigated for a Fe-Co metallic glass system of composition [(Co1-x Fe x )0.75B0.2Si0.05]96Cr4. The saturation magnetization increased with higher Fe concentration, but the trend significantly deviated from simple rule of mixtures. Ab initio molecular dynamics simulation was used to identify the ferromagnetic/anti-ferromagnetic interaction between the transition metals and metalloids. The overlapping band-structure and density of states represent ‘Stoner type’ magnetization for the amorphous alloys in contrast to ‘Heisenberg type’ in crystalline iron. The enhancement of magnetization by increasing iron was attributed to the interaction between Fe 3d and B 2p bands, which was further validated by valence-band study.

Temperature-dependence of Threshold Current Density-Length Product in Metallization Lines: A Revisit

International Nuclear Information System (INIS)

Duryat, Rahmat Saptono; Kim, Choong-Un

2016-01-01

One of the important phenomena in Electromigration (EM) is Blech Effect. The existence of Threshold Current Density-Length Product or EM Threshold has such fundamental and technological consequences in the design, manufacture, and testing of electronics. Temperature-dependence of Blech Product had been thermodynamically established and the real behavior of such interconnect materials have been extensively studied. The present paper reviewed the temperature-dependence of EM threshold in metallization lines of different materials and structure as found in relevant published articles. It is expected that the reader can see a big picture from the compiled data, which might be overlooked when it was examined in pieces. (paper)

A SURVEY OF METAL LINES AT HIGH REDSHIFT. II. SDSS ABSORPTION LINE STUDIES-O VI LINE DENSITY, SPACE DENSITY, AND GAS METALLICITY AT zabs ∼ 3.0

International Nuclear Information System (INIS)

Frank, S.; Mathur, S.; Pieri, M.; York, D. G.

2010-01-01

We have analyzed a large data set of O VI absorber candidates found in the spectra of 3702 Sloan Digital Sky Survey (SDSS) quasars, focusing on a subsample of 387 active galactic nuclei sight lines with an average S/N ≥5.0, allowing for the detection of absorbers above a rest-frame equivalent width limit of W r ≥ 0.19 A for the O VI 1032 A component. Accounting for random interlopers mimicking an O VI doublet, we derive for the first time a secure lower limit for the redshift number density ΔN/Δz for redshifts z abs ≥ 2.8. With extensive Monte Carlo simulations, we quantify the losses of absorbers due to blending with the ubiquitous Lyα forest lines and estimate the success rate of retrieving each individual candidate as a function of its redshift, the emission redshift of the quasar, the strength of the absorber, and the measured signal-to-noise ratio (S/N) of the spectrum by modeling typical Lyman forest spectra. These correction factors allow us to derive the 'incompleteness and S/N-corrected' redshift number densities of O VI absorbers: ΔN O V I,c /Δz c (2.8 O V I,c /Δz c (3.2 O V I,c /Δz c (3.6 O V I (2.8 -8 h -1 . We show that the strong lines we probe account for over 65% of the mass in the O VI absorbers; the weak absorbers, while dominant in line number density, do not contribute significantly to the mass density. Making a conservative assumption about the ionization fraction, O VI /O, and adopting the Anders and Grevesse solar abundance values, we derive the mean metallicity of the gas probed in our search: ζ(2.8 -4 h, in good agreement with other studies. These results demonstrate that large spectroscopic data sets such as SDSS can play an important role in QSO absorption line studies, in spite of the relatively low resolution.

Meet and Join Matrices in the Poset of Exponential Divisors

Indian Academy of Sciences (India)

... exponential divisor ( G C E D ) and the least common exponential multiple ( L C E M ) do not always exist. In this paper we embed this poset in a lattice. As an application we study the G C E D and L C E M matrices, analogues of G C D and L C M matrices, which are both special cases of meet and join matrices on lattices.

Effects of Metal Phytoextraction Practices on the Indigenous Community of Arbuscular Mycorrhizal Fungi at a Metal-Contaminated Landfill

Science.gov (United States)

Pawlowska, Teresa E.; Chaney, Rufus L.; Chin, Mel; Charvat, Iris

2000-01-01

Phytoextraction involves use of plants to remove toxic metals from soil. We examined the effects of phytoextraction practices with three plant species (Silene vulgaris, Thlaspi caerulescens, and Zea mays) and a factorial variation of soil amendments (either an ammonium or nitrate source of nitrogen and the presence or absence of an elemental sulfur supplement) on arbuscular mycorrhizal (AM) fungi (Glomales, Zygomycetes) at a moderately metal-contaminated landfill located in St. Paul, Minn. Specifically, we tested whether the applied treatments affected the density of glomalean spores and AM root colonization in maize. Glomalean fungi from the landfill were grouped into two morphotypes characterized by either light-colored spores (LCS) or dark-colored spores (DCS). Dominant species of the LCS morphotype were Glomus mosseae and an unidentified Glomus sp., whereas the DCS morphotype was dominated by Glomus constrictum. The density of spores of the LCS morphotype from the phytoremediated area was lower than the density of these spores in the untreated landfill soil. Within the experimental area, spore density of the LCS morphotype in the rhizosphere of mycorrhizal maize was significantly higher than in rhizospheres of nonmycorrhizal S. vulgaris or T. caerulescens. Sulfur supplement increased vesicular root colonization in maize and exerted a negative effect on spore density in maize rhizosphere. We conclude that phytoextraction practices, e.g., the choice of plant species and soil amendments, may have a great impact on the quantity and species composition of glomalean propagules as well as on mycorrhiza functioning during long-term metal-remediation treatments. PMID:10831433

Leaching of heavy metals from cementitious composites made of new ternary cements

Science.gov (United States)

Kuterasińska-Warwas, Justyna; Król, Anna

2017-10-01

The paper presents a comparison of research methods concerning the leaching of harmful substances (selected heavy metal cations ie. Pb, Cu, Zn and Cr) and their degree of immobilization in cement matrices. The new types of ternary cements were used in the study, where a large proportion of cement clinker was replaced by other non-clinker components - industrial wastes, ie. siliceous fly ash from power industry and granulated blast furnace slag from the iron and steel industry. In studied cementitious binders also ground limestone was used, which is a widely available raw material. The aim of research is determining the suitability of new cements for neutralizing harmful substances in the obtained matrices. The application of two research methods in accordance with EN 12457-4 and NEN 7275 intends to reflection of changing environmental conditions whom composite materials may actually undergo during their exploitation or storing on landfills. The results show that cements with high addition of non-clinker components are suitable for stabilization of toxic substances and the obtained cement matrices retain a high degree of immobilization of heavy metals at the level of 99%.

Electrochemistry at a Metal Nanoparticle on a Tunneling Film: A Steady-State Model of Current Densities at a Tunneling Ultramicroelectrode.

Science.gov (United States)

Hill, Caleb M; Kim, Jiyeon; Bard, Allen J

2015-09-09

Here, a new methodology is proposed for treating electrochemical current densities in metal-insulator-metal nanoparticle (M-I-MNP) systems. The described model provides broad, practical insights about MNP-mediated electron transfer to redox species in solution, where electron transfer from the underlying electrode to a MNP via tunneling and heterogeneous electron transfer from the MNP to redox species in solution are treated as sequential steps. Tunneling is treated through an adaptation of the Simmons model of tunneling in metal-insulator-metal structures, and explicit equations are provided for tunneling currents, which demonstrate the effect of various experimental parameters, such as insulator thickness and MNP size. Overall, a general approach is demonstrated for determining experimental conditions where tunneling will have a measurable impact on the electrochemistry of M-I-MNP systems.

Quantum entanglement and thermal reduced density matrices in fermion and spin systems on ladders

International Nuclear Information System (INIS)

Chen, Xiao; Fradkin, Eduardo

2013-01-01

Numerical studies of the reduced density matrix of a gapped spin-1/2 Heisenberg antiferromagnet on a two-leg ladder find that it has the same form as the Gibbs density matrix of a gapless spin-1/2 Heisenberg antiferromagnetic chain at a finite temperature determined by the spin gap of the ladder. We investigate this interesting result by considering a model of free fermions on a two-leg ladder (gapped by the inter-chain tunneling operator) and in spin systems on a ladder with a gapped ground state using exact solutions and several controlled approximations. We calculate the reduced density matrix and the entanglement entropy for a leg of the ladder (i.e. a cut made between the chains). In the fermionic system we find the exact form of the reduced density matrix for one of the chains and determine the entanglement spectrum explicitly. Here we find that in the weak tunneling limit of the ladder the entanglement entropy of one chain of the gapped ladder has a simple and universal form dictated by conformal invariance. In the case of the spin system, we consider the strong coupling limit by using perturbation theory and get the reduced density matrix by the Schmidt decomposition. The entanglement entropies of a general gapped system of two coupled conformal field theories (in 1 + 1 dimensions) are discussed using the replica trick and scaling arguments. We show that (1) for a system with a bulk gap the reduced density matrix has the form of a thermal density matrix, (2) the long-wavelength modes of one subsystem (a chain) of a gapped coupled system are always thermal, (3) the von Neumann entropy equals the thermodynamic entropy of one chain, and (4) the bulk gap plays the role of effective temperature. (paper)

Modelling of gas-metal arc welding taking into account metal vapour

Energy Technology Data Exchange (ETDEWEB)

Schnick, M; Fuessel, U; Hertel, M; Haessler, M [Institute of Surface and Manufacturing Technology, Technische Universitaet Dresden, D-01062 Dresden (Germany); Spille-Kohoff, A [CFX Berlin Software GmbH, Karl-Marx-Allee 90, 10243 Berlin (Germany); Murphy, A B [CSIRO Materials Science and Engineering, PO Box 218, Lindfield NSW 2070 (Australia)

2010-11-03

The most advanced numerical models of gas-metal arc welding (GMAW) neglect vaporization of metal, and assume an argon atmosphere for the arc region, as is also common practice for models of gas-tungsten arc welding (GTAW). These models predict temperatures above 20 000 K and a temperature distribution similar to GTAW arcs. However, spectroscopic temperature measurements in GMAW arcs demonstrate much lower arc temperatures. In contrast to measurements of GTAW arcs, they have shown the presence of a central local minimum of the radial temperature distribution. This paper presents a GMAW model that takes into account metal vapour and that is able to predict the local central minimum in the radial distributions of temperature and electric current density. The influence of different values for the net radiative emission coefficient of iron vapour, which vary by up to a factor of hundred, is examined. It is shown that these net emission coefficients cause differences in the magnitudes, but not in the overall trends, of the radial distribution of temperature and current density. Further, the influence of the metal vaporization rate is investigated. We present evidence that, for higher vaporization rates, the central flow velocity inside the arc is decreased and can even change direction so that it is directed from the workpiece towards the wire, although the outer plasma flow is still directed towards the workpiece. In support of this thesis, we have attempted to reproduce the measurements of Zielinska et al for spray-transfer mode GMAW numerically, and have obtained reasonable agreement.

Determination of bulk and interface density of states in metal oxide semiconductor thin-film transistors by using capacitance-voltage characteristics

Science.gov (United States)

Wei, Xixiong; Deng, Wanling; Fang, Jielin; Ma, Xiaoyu; Huang, Junkai

2017-10-01

A physical-based straightforward extraction technique for interface and bulk density of states in metal oxide semiconductor thin film transistors (TFTs) is proposed by using the capacitance-voltage (C-V) characteristics. The interface trap density distribution with energy has been extracted from the analysis of capacitance-voltage characteristics. Using the obtained interface state distribution, the bulk trap density has been determined. With this method, for the interface trap density, it is found that deep state density nearing the mid-gap is approximately constant and tail states density increases exponentially with energy; for the bulk trap density, it is a superposition of exponential deep states and exponential tail states. The validity of the extraction is verified by comparisons with the measured current-voltage (I-V) characteristics and the simulation results by the technology computer-aided design (TCAD) model. This extraction method uses non-numerical iteration which is simple, fast and accurate. Therefore, it is very useful for TFT device characterization.

Joint Estimation of Multiple Precision Matrices with Common Structures.

Science.gov (United States)

Lee, Wonyul; Liu, Yufeng

Estimation of inverse covariance matrices, known as precision matrices, is important in various areas of statistical analysis. In this article, we consider estimation of multiple precision matrices sharing some common structures. In this setting, estimating each precision matrix separately can be suboptimal as it ignores potential common structures. This article proposes a new approach to parameterize each precision matrix as a sum of common and unique components and estimate multiple precision matrices in a constrained l 1 minimization framework. We establish both estimation and selection consistency of the proposed estimator in the high dimensional setting. The proposed estimator achieves a faster convergence rate for the common structure in certain cases. Our numerical examples demonstrate that our new estimator can perform better than several existing methods in terms of the entropy loss and Frobenius loss. An application to a glioblastoma cancer data set reveals some interesting gene networks across multiple cancer subtypes.

Exchange correlation effects on plasmons and on charge-density wave instability in narrow-band quasi-one-dimensional metals

International Nuclear Information System (INIS)

Nobile, A.; Tosatti, E.

1979-05-01

The coexistence of tight-binding and exchange-correlation effects inside each chain of a model quasi-one-dimensional metal, on both plasmon and charge density wave properties have been studied. The results, while in qualitative agreement with other treatments of the problem at long wavelengths, indicate a strong tendency for plasmons to turn into excitons at larger momenta, and to exhibit an ''excitonic'' charge-density wave instability at k approximately 2ksub(F). The nature of the plasmon branches and of the excitonic charge distortion is examined. Relevance to existing quasi-one-dimensional materials is also discussed. (author)

Transport properties of metal-metal and metal-insulator heterostructures

Energy Technology Data Exchange (ETDEWEB)

Fadlallah Elabd, Mohamed Mostafa

2010-06-09

In this study we present results of electronic structure and transport calculations for metallic and metal-insulator interfaces, based on density functional theory and the non-equilibrium Green's function method. Starting from the electronic structure of bulk Al, Cu, Ag, and Au interfaces, we study the effects of different kinds of interface roughness on the transmission coefficient (T(E)) and the I-V characteristic. In particular, we compare prototypical interface distortions, including vacancies, metallic impurities, non-metallic impurities, interlayer, and interface alloy. We find that vacancy sites have a huge effect on transmission coefficient. The transmission coefficient of non-metallic impurity systems has the same behaviour as the transmission coefficient of vacancy system, since these systems do not contribute to the electronic states at the Fermi energy. We have also studied the transport properties of Au-MgO-Au tunnel junctions. In particular, we have investigated the influence of the thickness of the MgO interlayer, the interface termination, the interface spacing, and O vacancies. Additional interface states appear in the O-terminated configuration due to the formation of Au-O bonds. An increasing interface spacing suppresses the Au-O bonding. Enhancement of T(E) depends on the position and density of the vacancies (the number of vacancies per unit cell). (orig.)

Design, characterization and applications of new ionic liquid matrices for multifunctional analysis of biomolecules: A novel strategy for pathogenic bacteria biosensing

International Nuclear Information System (INIS)

Abdelhamid, Hani Nasser; Khan, M Shahnawaz; Wu, Hui-Fen

2014-01-01

Highlights: • Design and characterize novel UV absorbed-ionic liquid matrices series. • Apply the new series for different analytes. • Introduce a novel methodology for pathogenic bacteria biosensing. • Tabulate the physical parameters of the new series. - Abstract: The design, preparation and performance for novel UV-light absorbing (room-temperature) ionic liquid matrices (UV-RTILMs) for matrix assisted laser desorption/ionization mass spectrometry (MALDI-MS) were reported. A series of UV-RTILMs was prepared by ultrasonication of equimolar of acid (mefenamic acid) and bases (aniline (ANI), pyridine (Pyr), dimethyl aniline (DMANI) and 2-methyl picoline (2-P)). The UV-RTILMs have not only significant absorbance at the desired wavelength (337 nm of the N 2 Laser), but also have available protons that can easily undergo proton transfer reactions to ionize the target molecules. The novel UV-RTILMs have the ability to ionize different and wide classes of compounds such as drugs, carbohydrate, and amino acids. The new UV-RTILMs series have been successfully and selectively applied for biosensing the lysates of pathogenic bacteria in the presence of the cell macromolecules. A new strategy for biosensing pathogens was presented via sensing the pathogens lysate in the cell suspension. The new materials can effectively detect the bacterial toxins without separation or any pretreatment. They offered excellent ionization of labile oligosaccharides with protonated peaks. They could significantly enhance the analyte signals, produce homogeneous spotting, reducing spot-to-spot variation, excellent vacuum stability, higher ion peak intensity, and wide application possibility. The physical parameters such as molar refractivity, molar volume, parachor, surface tension, density and polarizability were calculated and tabulated. The new UV-RTILMs could offer excellent reproducibility and great repeatability and they are promising matrices for wide applications on MALDI-MS

Design, characterization and applications of new ionic liquid matrices for multifunctional analysis of biomolecules: A novel strategy for pathogenic bacteria biosensing

Energy Technology Data Exchange (ETDEWEB)

Abdelhamid, Hani Nasser [Department of Chemistry, National Sun Yat-Sen University, Kaohsiung, 804, Taiwan (China); Department of Chemistry, Assuit University, Assuit, 71515 (Egypt); Khan, M Shahnawaz [Doctoral Degree Program in Marine Biotechnology, National Sun Yat-Sen University, Kaohsiung, 804, Taiwan (China); Wu, Hui-Fen, E-mail: hwu@faculty.nsysu.edu.tw [Department of Chemistry, National Sun Yat-Sen University, Kaohsiung, 804, Taiwan (China); School of Pharmacy, College of Pharmacy, Kaohsiung Medical University, Kaohsiung, 800, Taiwan (China); Institute of Medical Science and Technology, National Sun Yat-Sen University, Kaohsiung, 804, Taiwan (China); Doctoral Degree Program in Marine Biotechnology, National Sun Yat-Sen University, Kaohsiung, 804, Taiwan (China); Center for Nanoscience and Nanotechnology, National Sun Yat-Sen University, Kaohsiung, 804, Taiwan (China)

2014-05-01

Highlights: • Design and characterize novel UV absorbed-ionic liquid matrices series. • Apply the new series for different analytes. • Introduce a novel methodology for pathogenic bacteria biosensing. • Tabulate the physical parameters of the new series. - Abstract: The design, preparation and performance for novel UV-light absorbing (room-temperature) ionic liquid matrices (UV-RTILMs) for matrix assisted laser desorption/ionization mass spectrometry (MALDI-MS) were reported. A series of UV-RTILMs was prepared by ultrasonication of equimolar of acid (mefenamic acid) and bases (aniline (ANI), pyridine (Pyr), dimethyl aniline (DMANI) and 2-methyl picoline (2-P)). The UV-RTILMs have not only significant absorbance at the desired wavelength (337 nm of the N{sub 2} Laser), but also have available protons that can easily undergo proton transfer reactions to ionize the target molecules. The novel UV-RTILMs have the ability to ionize different and wide classes of compounds such as drugs, carbohydrate, and amino acids. The new UV-RTILMs series have been successfully and selectively applied for biosensing the lysates of pathogenic bacteria in the presence of the cell macromolecules. A new strategy for biosensing pathogens was presented via sensing the pathogens lysate in the cell suspension. The new materials can effectively detect the bacterial toxins without separation or any pretreatment. They offered excellent ionization of labile oligosaccharides with protonated peaks. They could significantly enhance the analyte signals, produce homogeneous spotting, reducing spot-to-spot variation, excellent vacuum stability, higher ion peak intensity, and wide application possibility. The physical parameters such as molar refractivity, molar volume, parachor, surface tension, density and polarizability were calculated and tabulated. The new UV-RTILMs could offer excellent reproducibility and great repeatability and they are promising matrices for wide applications on MALDI-MS.

Improved Accuracy of Density Functional Theory Calculations for CO2 Reduction and Metal-Air Batteries

DEFF Research Database (Denmark)

Christensen, Rune; Hansen, Heine Anton; Vegge, Tejs

2015-01-01

Density functional theory (DFT) calculations have greatly contributed to the atomic level understanding of electrochemical reactions. However, in some cases, the accuracy can be prohibitively low for a detailed understanding of, e.g. reaction mechanisms. Two cases are examined here, i.e. the elec......Density functional theory (DFT) calculations have greatly contributed to the atomic level understanding of electrochemical reactions. However, in some cases, the accuracy can be prohibitively low for a detailed understanding of, e.g. reaction mechanisms. Two cases are examined here, i.......47 eV and 0.17 eV using metals as reference. The presented approach for error identification is expected to be applicable to a very broad range of systems. References: [1] A. A. Peterson, F. Abild-Pedersen, F. Studt, J. Rossmeisl, and J. K. Nørskov, Energy Environ. Sci., 3,1311 (2010) [2] F. Studt, F...

PLUTONIUM METALLIC FUELS FOR FAST REACTORS

Energy Technology Data Exchange (ETDEWEB)

STAN, MARIUS [Los Alamos National Laboratory; HECKER, SIEGFRIED S. [Los Alamos National Laboratory

2007-02-07

Early interest in metallic plutonium fuels for fast reactors led to much research on plutonium alloy systems including binary solid solutions with the addition of aluminum, gallium, or zirconium and low-melting eutectic alloys with iron and nickel or cobalt. There was also interest in ternaries of these elements with plutonium and cerium. The solid solution and eutectic alloys have most unusual properties, including negative thermal expansion in some solid-solution alloys and the highest viscosity known for liquid metals in the Pu-Fe system. Although metallic fuels have many potential advantages over ceramic fuels, the early attempts were unsuccessful because these fuels suffered from high swelling rates during burn up and high smearing densities. The liquid metal fuels experienced excessive corrosion. Subsequent work on higher-melting U-PuZr metallic fuels was much more promising. In light of the recent rebirth of interest in fast reactors, we review some of the key properties of the early fuels and discuss the challenges presented by the ternary alloys.

Simulating Valence-to-Core X-ray Emission Spectroscopy of Transition Metal Complexes with Time-Dependent Density Functional Theory.

Science.gov (United States)

Zhang, Yu; Mukamel, Shaul; Khalil, Munira; Govind, Niranjan

2015-12-08

Valence-to-core (VtC) X-ray emission spectroscopy (XES) has emerged as a powerful technique for the structural characterization of complex organometallic compounds in realistic environments. Since the spectrum represents electronic transitions from the ligand molecular orbitals to the core holes of the metal centers, the approach is more chemically sensitive to the metal-ligand bonding character compared with conventional X-ray absorption techniques. In this paper we study how linear-response time-dependent density functional theory (LR-TDDFT) can be harnessed to simulate K-edge VtC X-ray emission spectra reliably. LR-TDDFT allows one to go beyond the single-particle picture that has been extensively used to simulate VtC-XES. We consider seven low- and high-spin model complexes involving chromium, manganese, and iron transition metal centers. Our results are in good agreement with experiment.

Asymptotics of eigenvalues and eigenvectors of Toeplitz matrices

Science.gov (United States)

Böttcher, A.; Bogoya, J. M.; Grudsky, S. M.; Maximenko, E. A.

2017-11-01

Analysis of the asymptotic behaviour of the spectral characteristics of Toeplitz matrices as the dimension of the matrix tends to infinity has a history of over 100 years. For instance, quite a number of versions of Szegő's theorem on the asymptotic behaviour of eigenvalues and of the so-called strong Szegő theorem on the asymptotic behaviour of the determinants of Toeplitz matrices are known. Starting in the 1950s, the asymptotics of the maximum and minimum eigenvalues were actively investigated. However, investigation of the individual asymptotics of all the eigenvalues and eigenvectors of Toeplitz matrices started only quite recently: the first papers on this subject were published in 2009-2010. A survey of this new field is presented here. Bibliography: 55 titles.

Electrospun composite matrices of poly(ε-caprolactone)-montmorillonite made using tenside free Pickering emulsions.

Science.gov (United States)

Samanta, Archana; Takkar, Sonam; Kulshreshtha, Ritu; Nandan, Bhanu; Srivastava, Rajiv K

2016-12-01

The production of composite electrospun matrices of poly(ε-caprolactone) (PCL) using an emulsifier-free emulsion, made with minimal organic solvent, as precursor is reported. Pickering emulsions of PCL were prepared using modified montmorillonite (MMT) clay as the stabilizer. Hydrophobic tallow group of the modified MMT clay resulted in analogous interaction of clay with oil and aqueous phase and its adsorption at the interface to provide stability to the resultant emulsion. Composite fibrous matrices of PCL and MMT were produced using electrospinning under controlled conditions. The fiber fineness was found to alter with PCL concentration and volume fraction of the aqueous and oil phases. A higher tensile strength and modulus was obtained with inclusion of MMT in PCL electrospun matrix in comparison to a matrix made using neat PCL. The presence of clay in the fibrous matrix did not change the cell proliferation efficiency in comparison to neat PCL matrix. Composite fibrous matrices of PCL/MMT bearing enhanced tensile properties may find applications in areas other than tissue engineering for example food packaging and filtration. Copyright © 2016 Elsevier B.V. All rights reserved.

On the norms of r-circulant matrices with generalized Fibonacci numbers

Directory of Open Access Journals (Sweden)

Amara Chandoul

2017-01-01

Full Text Available In this paper, we obtain a generalization of [6, 8]. Firstly, we consider the so-called r-circulant matrices with generalized Fibonacci numbers and then found lower and upper bounds for the Euclidean and spectral norms of these matrices. Afterwards, we present some bounds for the spectral norms of Hadamard and Kronecker product of these matrices.

Bending-Tolerant Anodes for Lithium-Metal Batteries.

Science.gov (United States)

Wang, Aoxuan; Tang, Shan; Kong, Debin; Liu, Shan; Chiou, Kevin; Zhi, Linjie; Huang, Jiaxing; Xia, Yong-Yao; Luo, Jiayan

2018-01-01

Bendable energy-storage systems with high energy density are demanded for conformal electronics. Lithium-metal batteries including lithium-sulfur and lithium-oxygen cells have much higher theoretical energy density than lithium-ion batteries. Reckoned as the ideal anode, however, Li has many challenges when directly used, especially its tendency to form dendrite. Under bending conditions, the Li-dendrite growth can be further aggravated due to bending-induced local plastic deformation and Li-filaments pulverization. Here, the Li-metal anodes are made bending tolerant by integrating Li into bendable scaffolds such as reduced graphene oxide (r-GO) films. In the composites, the bending stress is largely dissipated by the scaffolds. The scaffolds have increased available surface for homogeneous Li plating and minimize volume fluctuation of Li electrodes during cycling. Significantly improved cycling performance under bending conditions is achieved. With the bending-tolerant r-GO/Li-metal anode, bendable lithium-sulfur and lithium-oxygen batteries with long cycling stability are realized. A bendable integrated solar cell-battery system charged by light with stable output and a series connected bendable battery pack with higher voltage is also demonstrated. It is anticipated that this bending-tolerant anode can be combined with further electrolytes and cathodes to develop new bendable energy systems. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Effect of Galacto-Oligosaccharides: Maltodextrin Matrices on the Recovery of Lactobacillus plantarum after Spray-Drying

Science.gov (United States)

Sosa, Natalia; Gerbino, Esteban; Golowczyc, Marina A.; Schebor, Carolina; Gómez-Zavaglia, Andrea; Tymczyszyn, E. Elizabeth

2016-01-01

In this work maltodextrins were added to commercial galacto-oligosaccharides (GOS) in a 1:1 ratio and their thermophysical characteristics were analyzed. GOS:MD solutions were then used as matrices during spray-drying of Lactobacillus plantarum CIDCA 83114. The obtained powders were equilibrated at different relative humidities (RH) and stored at 5 and 20°C for 12 weeks, or at 30°C for 6 weeks. The Tgs of GOS:MD matrices were about 20–30°C higher than those of GOS at RH within 11 and 52%. A linear relation between the spin-spin relaxation time (T2) and T-Tg parameter was observed for GOS:MD matrices equilibrated at 11, 22, 33, and 44% RH at 5, 20, and 30°C. Spray-drying of L. plantarum CIDCA 83114 in GOS:MD matrices allowed the recovery of 93% microorganisms. In contrast, only 64% microorganisms were recovered when no GOS were included in the dehydration medium. Survival of L. plantarum CIDCA 83114 during storage showed the best performance for bacteria stored at 5°C. In a further step, the slopes of the linear regressions provided information about the rate of microbial inactivation for each storage condition (k values). This information can be useful to calculate the shelf-life of spray-dried starters stored at different temperatures and RH. Using GOS:MD matrices as a dehydration medium enhanced the recovery of L. plantarum CIDCA 83114 after spray-drying. This strategy allowed for the first time the spray-drying stabilization of a potentially probiotic strain in the presence of GOS. PMID:27199918

Depth Profiling (ICP-MS Study of Toxic Metal Buildup in Concrete Matrices: Potential Environmental Impact

Directory of Open Access Journals (Sweden)

Ghada Bassioni

2010-10-01

Full Text Available This paper explores the potential of concrete material to accumulate toxic trace elements using ablative laser technology (ICP-MS. Concrete existing in offshore structures submerged in seawater acts as a sink for hazardous metals, which could be gradually released into the ocean creating pollution and anoxic conditions for marine life. Ablative laser technology is a valuable tool for depth profiling concrete to evaluate the distribution of toxic metals and locate internal areas where such metals accumulate. Upon rapid degradation of concrete these “hotspots” could be suddenly released, thus posing a distinct threat to aquatic life. Our work simulated offshore drilling conditions by immersing concrete blocks in seawater and investigating accumulated toxic trace metals (As, Be, Cd, Hg, Os, Pb in cored samples by laser ablation. The experimental results showed distinct inhomogeneity in metal distribution. The data suggest that conditions within the concrete structure are favorable for random metal accumulation at certain points. The exact mechanism for this behavior is not clear at this stage and has considerable scope for extended research including modeling and remedial studies.

Quantitative characterization of short- and long-chain perfluorinated acids in solid matrices in Shanghai, China

International Nuclear Information System (INIS)

Li, Fei; Zhang, Chaojie; Qu, Yan; Chen, Jing; Chen, Ling; Liu, Ying; Zhou, Qi

2010-01-01

Perfluorinated acids (PFAs) have been recognized as emerging environmental pollutants because of their widespread occurrences, persistence, and bioaccumulative and toxicological effects. PFAs have been detected in aquatic environment and biota in China, but the occurrences of these chemicals have not been reported in solid matrices in China. In the present study, short- and long-chain PFAs (C2-C14) have been quantitatively determined in solid matrices including sediments, soils and sludge collected in Shanghai, China. The results indicate that sludge contains more PFAs than sediments and soils, and the total PFAs concentrations in sediments, soil and sludge are 62.5-276 ng g -1 , 141-237 ng g -1 and 413-755 ng g -1 , respectively. In most cases, trifluoroacetic acid was the major PFA and accounted for 22-90% of the total PFAs. Although the levels of perfluorooctanoate (PFOA) and perfluorooctanesulfonate (PFOS) were not only lower than trifluoroacetic acid, but also lower than some short-chain PFCAs (< C8) in some individual cases, PFOA and PFOS were still the major pollution compounds in most cases and they constituted 2-34% and 1-9% of the total PFAs, respectively. Meanwhile, unlike previous studies, PFOS levels were not always higher than PFOA in solids collected in Shanghai, China. Given that some short-chain PFAs such as trifluoroacetic acid are mildly phytotoxic and their higher levels in solid matrices were collected in Shanghai, China, these chemicals should be included in future environmental monitoring efforts.

Hypersymmetric functions and Pochhammers of 2×2 nonautonomous matrices

Directory of Open Access Journals (Sweden)

A. F. Antippa

2004-01-01

Full Text Available We introduce the hypersymmetric functions of 2×2 nonautonomous matrices and show that they are related, by simple expressions, to the Pochhammers (factorial polynomials of these matrices. The hypersymmetric functions are generalizations of the associated elementary symmetric functions, and for a specific class of 2×2 matrices, having a high degree of symmetry, they reduce to these latter functions. This class of matrices includes rotations, Lorentz boosts, and discrete time generators for the harmonic oscillators. The hypersymmetric functions are defined over four sets of independent indeterminates using a triplet of interrelated binary partitions. We work out the algebra of this triplet of partitions and then make use of the results in order to simplify the expressions for the hypersymmetric functions for a special class of matrices. In addition to their obvious applications in matrix theory, in coupled difference equations, and in the theory of symmetric functions, the results obtained here also have useful applications in problems involving successive rotations, successive Lorentz transformations, discrete harmonic oscillators, and linear two-state systems.

Experimental Charge Density Study of Trichromium Linear Metal String Complex – Cr3(dpa)4Cl2

DEFF Research Database (Denmark)

Wu, Lai-Chin; Cheng, Ming-Chuan; Thomsen, Maja Krüger

An experimental and theoretical charge density study, based on Bader’s Quantum Theory: Atoms in Molecule (QTAIM), on a trichromium metal string complex, Cr3(dpa)4Cl2(C2H5OC2H5)x(CH2Cl2)1-x (1, dpa- = bis(2-pyridyl)amido)) is performed. The structure and multipole model of 1 are performed by using...... experimental X-ray diffraction data which are collected at both 100 K using conventional X-ray source (DS1) and 15 K using synchrotron source (DS2). The three chromium metal string is bridged by four dpa- ligands. These tri-chromium metal ions are bonded to each other and terminated by two Cl- ions on the both...... ends, forming a [Cl(1)Cr(1)Cr(2)Cr(3)Cl(2)] linear string. Each Cr atoms are coordinated by four N atoms of each dpa- ligand. This metal string is slightly unsymmetrical at both data sets. The bond distance, from DS1 (DS2), of Cr(1)Cr(2), 2.3480(2) (2.3669(1)) Å, is 0.03 (0.003) Å shorter than Cr...

Evaluation of support matrices for immobilization of anaerobic consortia for efficient carbon cycling in waste regeneration.

Science.gov (United States)

Chauhan, Ashvini; Ogram, Andrew

2005-02-18

Efficient metabolism of fatty acids during anaerobic waste digestion requires development of consortia that include "fatty acid consuming H(2) producing bacteria" and methanogenic bacteria. The objective of this research was to optimize methanogenesis from fatty acids by evaluating a variety of support matrices for use in maintaining efficient syntrophic-methanogenic consortia. Tested matrices included clays (montmorillonite and bentonite), glass beads (106 and 425-600mum), microcarriers (cytopore, cytodex, cytoline, and cultispher; conventionally employed for cultivation of mammalian cell lines), BioSep beads (powdered activated carbon), and membranes (hydrophilic; nylon, polysulfone, and hydrophobic; teflon, polypropylene). Data obtained from headspace methane (CH(4)) analyses as an indicator of anaerobic carbon cycling efficiency indicated that material surface properties were important in maintenance and functioning of the anaerobic consortia. Cytoline yielded significantly higher CH(4) than other matrices as early as in the first week of incubation. 16S rRNA gene sequence analysis from crushed cytoline matrix showed the presence of Syntrophomonas spp. (butyrate oxidizing syntrophs) and Syntrophobacter spp. (propionate oxidizing syntrophs), with Methanosaeta spp. (acetate utilizing methanogen), and Methanospirillum spp. (hydrogen utilizing methanogen) cells. It is likely that the more hydrophobic surfaces provided a suitable surface for adherence of cells of syntrophic-methanogenic consortia. Cytoline also appeared to protect entrapped consortia from air, resulting in rapid methanogenesis after aerial exposure. Our study suggests that support matrices can be used in anaerobic digestors, pre-seeded with immobilized or entrapped consortia on support matrices, and may be of value as inoculant-adsorbents to rapidly initiate or recover proper system functioning following perturbation.

An algorithmic characterization of P-matricity

OpenAIRE

Ben Gharbia , Ibtihel; Gilbert , Jean Charles

2013-01-01

International audience; It is shown that a matrix M is a P-matrix if and only if, whatever is the vector q, the Newton-min algorithm does not cycle between two points when it is used to solve the linear complementarity problem 0 ≤ x ⊥ (Mx+q) ≥ 0.; Nous montrons dans cet article qu'une matrice M est une P-matrice si, et seulement si, quel que soit le vecteur q, l'algorithme de Newton-min ne fait pas de cycle de deux points lorsqu'il est utilisé pour résoudre le problème de compl\\émentarité lin...

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

Annihilation momentum density of positrons trapped at vacancy-type defects in metals and alloys

International Nuclear Information System (INIS)

Bansil, A.; Prasad, R.; Benedek, R.

1988-01-01

Positron annihilation, especially the angular correlation of annihilation radiation, is a powerful tool for investigating the electronic spectra of ordered as well as defected materials. The tendency of positrons to trap at vacancy-type defects should enable this technique to study the local environment of such defects. However, we need to develop a theoretical basis for calculating the two-photon annihilation momentum density rho/sub 2gamma/(p-vector). We have recently formulated and implemented a theory of rho/sub 2gamma/(p-vector) from vacancy-type defects in metals and alloys. This article gives an outline of our approach together with a few of our results. Section 2 summarizes the basic equations for evaluating rho/sub 2gamma/(p-vector). Our Green's function-based approach is nonperturbative and employs a realistic (one-particle) muffin-tin Hamiltonian for treating electrons and positrons. Section 3 presents and discusses rho/sub 2gamma/(p-vector) results for a mono-vacancy in Cu. We have neglected the effects of electron-positron correlations and of lattice distortion around the vacancy. Section 4 comments briefly on the question of treating defects such as divacancies and metal-impurity complexes in metals and alloys. Finally, in Section 5, we remark on the form of rho/sub 2gamma/(p-vector) for a mono-vacancy in jellium. 2 figs

Partitioning sparse rectangular matrices for parallel processing

Energy Technology Data Exchange (ETDEWEB)

Kolda, T.G.

1998-05-01

The authors are interested in partitioning sparse rectangular matrices for parallel processing. The partitioning problem has been well-studied in the square symmetric case, but the rectangular problem has received very little attention. They will formalize the rectangular matrix partitioning problem and discuss several methods for solving it. They will extend the spectral partitioning method for symmetric matrices to the rectangular case and compare this method to three new methods -- the alternating partitioning method and two hybrid methods. The hybrid methods will be shown to be best.

Tubing-Electrospinning: A One-Step Process for Fabricating Fibrous Matrices with Spatial, Chemical, and Mechanical Gradients.

Science.gov (United States)

Kim, Jung-Suk; Im, Byung Gee; Jin, Gyuhyung; Jang, Jae-Hyung

2016-08-31

Guiding newly generated tissues in a gradient pattern, thereby precisely mimicking inherent tissue morphology and subsequently arranging the intimate networks between adjacent tissues, is essential to raise the technical levels of tissue engineering and facilitate its transition into the clinic. In this study, a straightforward electrospinning method (the tubing-electrospinning technique) was developed to create fibrous matrices readily with diverse gradient patterns and to induce patterned cellular responses. Gradient fibrous matrices can be produced simply by installing a series of polymer-containing lengths of tubing into an electrospinning circuit and sequentially processing polymers without a time lag. The loading of polymer samples with different characteristics, including concentration, wettability, and mechanical properties, into the tubing system enabled unique features in fibrous matrices, such as longitudinal gradients in fiber density, surface properties, and mechanical stiffness. The resulting fibrous gradients were shown to arrange cellular migration and residence in a gradient manner, thereby offering efficient cues to mediate patterned tissue formation. The one-step process using tubing-electrospinning apparatus can be used without significant modifications regardless of the type of fibrous gradient. Hence, the tubing-electrospinning system can serve as a platform that can be readily used by a wide-range of users to induce patterned tissue formation in a gradient manner, which will ultimately improve the functionality of tissue engineering scaffolds.

Simulation of resonance hyper-Rayleigh scattering of molecules and metal clusters using a time-dependent density functional theory approach.

Science.gov (United States)

Hu, Zhongwei; Autschbach, Jochen; Jensen, Lasse

2014-09-28

Resonance hyper-Rayleigh scattering (HRS) of molecules and metal clusters have been simulated based on a time-dependent density functional theory approach. The resonance first-order hyperpolarizability (β) is obtained by implementing damped quadratic response theory using the (2n + 1) rule. To test this implementation, the prototypical dipolar molecule para-nitroaniline (p-NA) and the octupolar molecule crystal violet are used as benchmark systems. Moreover, small silver clusters Ag 8 and Ag 20 are tested with a focus on determining the two-photon resonant enhancement arising from the strong metal transition. Our results show that, on a per atom basis, the small silver clusters possess two-photon enhanced HRS comparable to that of larger nanoparticles. This finding indicates the potential interest of using small metal clusters for designing new nonlinear optical materials.

Comparative evaluation of microbial and chemical leaching processes for heavy metal removal from dewatered metal plating sludge

International Nuclear Information System (INIS)

Bayat, Belgin; Sari, Bulent

2010-01-01

The purpose of the study described in this paper was to evaluate the application of bioleaching technique involving Acidithiobacillus ferrooxidans to recover heavy metals (Zn, Cu, Ni, Pb, Cd and Cr) in dewatered metal plating sludge (with no sulfide or sulfate compounds). The effect of some conditional parameters (i.e. pH, oxidation-reduction potential (ORP), sulfate production) and operational parameters (i.e. pulp density of the sludge and agitation time) were investigated in a 3 l completely mixed batch (CMB) reactor. The metal recovery yields in bioleaching were also compared with chemical leaching of the sludge waste using commercial inorganic acids (sulfuric acids and ferric chloride). The leaching of heavy metals increased with decreasing of pH and increasing of ORP and sulfate production during the bioleaching experiment. Optimum pulp density for bioleaching was observed at 2% (w/v), and leaching efficiency decreased with increasing pulp density in bioleaching experiments. Maximum metal solubilization (97% of Zn, 96% of Cu, 93% of Ni, 84% of Pb, 67% of Cd and 34% of Cr) was achieved at pH 2, solids contents of 2% (w/v), and a reaction temperature of 25 ± 2 deg. C during the bioleaching process. The maximum removal efficiencies of 72% and 79% Zn, 70% and 75% Cu, 69% and 73% Ni, 57% and 70% Pb, 55% and 65% Cd, and 11% and 22% Cr were also attained with the chemical leaching using sulfuric acids and ferric chloride, respectively, at pH 2, solids contents of 2% (w/v), and a reaction temperature of 25 ± 2 deg. C during the acid leaching processes. The rates of metal leaching for bioleaching and chemical leaching are well described by a kinetic equation related to time. Although bioleaching generally requires a longer period of operation compared to chemical leaching, it achieves higher removal efficiency for heavy metals. The efficiency of leaching processes can be arranged in descending order as follows: bioleaching > ferric chloride leaching > sulfuric acid

Comparative evaluation of microbial and chemical leaching processes for heavy metal removal from dewatered metal plating sludge

Energy Technology Data Exchange (ETDEWEB)

Bayat, Belgin, E-mail: bbayat@cu.edu.tr [Department of Environmental Engineering, Faculty of Engineering and Architecture, Cukurova University, Balcali, Adana 01330 (Turkey); Sari, Bulent [Department of Environmental Engineering, Faculty of Engineering and Architecture, Cukurova University, Balcali, Adana 01330 (Turkey)

2010-02-15

The purpose of the study described in this paper was to evaluate the application of bioleaching technique involving Acidithiobacillus ferrooxidans to recover heavy metals (Zn, Cu, Ni, Pb, Cd and Cr) in dewatered metal plating sludge (with no sulfide or sulfate compounds). The effect of some conditional parameters (i.e. pH, oxidation-reduction potential (ORP), sulfate production) and operational parameters (i.e. pulp density of the sludge and agitation time) were investigated in a 3 l completely mixed batch (CMB) reactor. The metal recovery yields in bioleaching were also compared with chemical leaching of the sludge waste using commercial inorganic acids (sulfuric acids and ferric chloride). The leaching of heavy metals increased with decreasing of pH and increasing of ORP and sulfate production during the bioleaching experiment. Optimum pulp density for bioleaching was observed at 2% (w/v), and leaching efficiency decreased with increasing pulp density in bioleaching experiments. Maximum metal solubilization (97% of Zn, 96% of Cu, 93% of Ni, 84% of Pb, 67% of Cd and 34% of Cr) was achieved at pH 2, solids contents of 2% (w/v), and a reaction temperature of 25 {+-} 2 deg. C during the bioleaching process. The maximum removal efficiencies of 72% and 79% Zn, 70% and 75% Cu, 69% and 73% Ni, 57% and 70% Pb, 55% and 65% Cd, and 11% and 22% Cr were also attained with the chemical leaching using sulfuric acids and ferric chloride, respectively, at pH 2, solids contents of 2% (w/v), and a reaction temperature of 25 {+-} 2 deg. C during the acid leaching processes. The rates of metal leaching for bioleaching and chemical leaching are well described by a kinetic equation related to time. Although bioleaching generally requires a longer period of operation compared to chemical leaching, it achieves higher removal efficiency for heavy metals. The efficiency of leaching processes can be arranged in descending order as follows: bioleaching > ferric chloride leaching > sulfuric

Interaction effects in liquids with low electron densities

International Nuclear Information System (INIS)

Warren, W.W. Jr.

1987-01-01

The author discusses two complementary classes of systems in which strong electron-electron or electron-ion interactions appear at low electron densities. The first are the expanded liquid alkali metals (cesium) in which electron correlation effects have a profound effect on the magnetic properties on the metallic side of the metal-nonmetal transition. The second group are molten alkali halides containing low densities of localized electrons introduced, say, by dissolution of small amounts of excess metal. (Auth.)

High-energy-density, aqueous, metal-polyiodide redox flow batteries

Science.gov (United States)

Li, Bin; Nie, Zimin; Wang, Wei; Liu, Jun; Sprenkle, Vincent L.

2017-08-29

Improved metal-based redox flow batteries (RFBs) can utilize a metal and a divalent cation of the metal (M.sup.2+) as an active redox couple for a first electrode and electrolyte, respectively, in a first half-cell. For example, the metal can be Zn. The RFBs can also utilize a second electrolyte having I.sup.-, anions of I.sub.x (for x.gtoreq.3), or both in an aqueous solution, wherein the I.sup.- and the anions of I.sub.x (for x.gtoreq.3) compose an active redox couple in a second half-cell.

Four-Component Damped Density Functional Response Theory Study of UV/Vis Absorption Spectra and Phosphorescence Parameters of Group 12 Metal-Substituted Porphyrins.

Science.gov (United States)

Fransson, Thomas; Saue, Trond; Norman, Patrick

2016-05-10

The influences of group 12 (Zn, Cd, Hg) metal-substitution on the valence spectra and phosphorescence parameters of porphyrins (P) have been investigated in a relativistic setting. In order to obtain valence spectra, this study reports the first application of the damped linear response function, or complex polarization propagator, in the four-component density functional theory framework [as formulated in Villaume et al. J. Chem. Phys. 2010 , 133 , 064105 ]. It is shown that the steep increase in the density of states as due to the inclusion of spin-orbit coupling yields only minor changes in overall computational costs involved with the solution of the set of linear response equations. Comparing single-frequency to multifrequency spectral calculations, it is noted that the number of iterations in the iterative linear equation solver per frequency grid-point decreases monotonously from 30 to 0.74 as the number of frequency points goes from one to 19. The main heavy-atom effect on the UV/vis-absorption spectra is indirect and attributed to the change of point group symmetry due to metal-substitution, and it is noted that substitutions using heavier atoms yield small red-shifts of the intense Soret-band. Concerning phosphorescence parameters, the adoption of a four-component relativistic setting enables the calculation of such properties at a linear order of response theory, and any higher-order response functions do not need to be considered-a real, conventional, form of linear response theory has been used for the calculation of these parameters. For the substituted porphyrins, electronic coupling between the lowest triplet states is strong and results in theoretical estimates of lifetimes that are sensitive to the wave function and electron density parametrization. With this in mind, we report our best estimates of the phosphorescence lifetimes to be 460, 13.8, 11.2, and 0.00155 s for H2P, ZnP, CdP, and HgP, respectively, with the corresponding transition

Exploring the Photovoltaic Properties of Metal Bipyridine Complexes (Metal = Fe, Zn, Cr, and Ru) by Density Functional Theory

Science.gov (United States)

Irfan, Ahmad; Abbas, Ghulam

2018-03-01

The synthesis and characterisation of mononuclear Fe complexes were carried out by using bipyridine (Compound 1) at ambient conditions. Additionally, three more derivatives were designed by substituting the central Fe metal with Zn, Cr, and Ru (Compound 2, Compound 3, and Compound 4), respectively. The ground state geometry calculations were carried out by using density functional theory (DFT) at B3LYP/6-31G** (LANL2DZ) level of theory. We shed light on the frontier molecular orbitals, electronic properties, photovoltaic parameters, and structure-property relationship. The open-circuit voltage is a promising parameter that considerably affects the photovoltaic performance; thus, we have estimated its value by considering the complexes as donors whereas TiO2 and/or Si were used as acceptors. The solar cell performance behaviour was also studied by shedding light on the band alignment and energy level offset.

Density functional investigation of mercury and arsenic adsorption on nitrogen doped graphene decorated with palladium clusters: A promising heavy metal sensing material in farmland

International Nuclear Information System (INIS)

Zhao, Chunjiang; Wu, Huarui

2017-01-01

Highlights: • PNG can be acted as micro-sensor for monitoring heavy metal in agriculture. • The most favorable adsorption site of Pd atom or cluster on PNG is the vacancy site. • The Pd atom or cluster enhance the reactivity of PNG toward Hg and AsH_3 adsorption. • The efficiency of a sorbent can be tuned by tailoring the ε_d of adsorbed metals. - Abstract: Density functional theory calculations are carried out to study the adsorption of mercury and arsenic on Pd_n (n = 1–6) supported on pyridine-like nitrogen doped graphene (PNG). Owing to the promising sensitivity in trace amounts of atoms or molecules, PNG can be acted as micro-sensor for sensing heavy metals in agriculture soils. Through the analyses of structural and electronic properties of pristine PNG and Pd atom decorated PNG, we find that the most favorable adsorption site for Pd atom is the vacancy site. The analyses of structural and electronic properties reveal that the Pd atom or clusters can enhance the reactivity for Hg and AsH_3 adsorption on PNG. The adsorption ability of Hg on Pd_n decorated PNG is found to be related to the d-band center (ε_d) of the Pd_n, in which the closer ε_d of Pd_n to the Fermi level, the higher adsorption strength for Hg on Pd_n decorated PNG. Moreover, the charge transfer between Pd_n and arsenic may constitute arsenic adsorption on Pd_n decorated PNG. Further design of highly efficient carbon based sorbents for heavy metals removal should be focused on tailoring ε_d of adsorbed metals.

Optical to ultraviolet spectra of sandwiches of benzene and transition metal atoms: Time dependent density functional theory and many-body calculations

DEFF Research Database (Denmark)

Martinez, Jose Ignacio; García Lastra, Juan Maria; Lopez, M. J.

2010-01-01

The optical spectra of sandwich clusters formed by transition metal atoms (titanium, vanadium, and chromium) intercalated between parallel benzene molecules have been studied by time-dependent density functional theory (TDDFT) and many-body perturbation theory. Sandwiches with different number...

Immunohistochemical study of extracellular matrices and elastic fibers in a human sternoclavicular joint.

Science.gov (United States)

Shimada, K; Takeshige, N; Moriyama, H; Miyauchi, Y; Shimada, S; Fujimaki, E

1997-12-01

In this study, we clarified the distribution of elastic and oxytalan fibers in a human sternoclavicular joint (SCJ) using a color image system and in extracellular matrices using immunoperoxidase staining. Fine elastic fibers (EFs) were scattered in the fibrous layer of the sternoclavicular disk. This articular disk was composed of a collagenous bundle on the sternum side of the articular disk in the SCJ and cellular components including connective tissue on the clavicular side of the articular disk. The thickness of the disk gradually increased from the inferior to superior portion. Collagen fibers type I, III and V and other extracellular matrices (ECMs) were detected in the hypertrophic zone in the clavicular and sternum side of the SCJ and in the connective tissue of the articulatio condylar. On the cervical surface of the articular disk, cellular activity was higher than on the sternum surface.

Higher-accuracy van der Waals density functional

DEFF Research Database (Denmark)

Lee, Kyuho; Murray, Éamonn D.; Kong, Lingzhu

2010-01-01

We propose a second version of the van der Waals density functional of Dion et al. [Phys. Rev. Lett. 92, 246401 (2004)], employing a more accurate semilocal exchange functional and the use of a large-N asymptote gradient correction in determining the vdW kernel. The predicted binding energy...

Density-functional formulation of the generalized pseudopotential theory. III. Transition-metal interatomic potentials

Science.gov (United States)

Moriarty, John A.

1988-08-01

The first-principles, density-functional version of the generalized pseudopotential theory (GPT) developed in papers I and II of this series [Phys. Rev. B 16, 2537 (1977); 26, 1754 (1982)] for empty- and filled-d-band metals is here extended to pure transition metals with partially filled d bands. The present focus is on a rigorous, real-space expansion of the bulk total energy in terms of widely transferable, structure-independent interatomic potentials, including both central-force pair interactions and angular-force triplet and quadruplet interactions. To accomplish this expansion, a specialized set of starting equations is derived from the basic local-density formalism for a pure metal, including refined expansions for the exchange-correlation terms and a simplified yet accurate representation of the cohesive energy. The parent pseudo-Green's-function formalism of the GPT is then used to develop these equations in a plane-wave, localized-d-state basis. In this basis, the cohesive energy divides quite naturally into a large volume component and a smaller structural component. The volume component,which includes all one-ion intra-atomic energy contributions, already gives a good description of the cohesion in lowest order. The structural component is expanded in terms of weak interatomic matrix elements and gives rise to a multi-ion series which establishes the interatomic potentials. Special attention is focused on the dominant d-electron contributions to this series and complete formal results for the two-ion, three-ion, and four-ion d-state potentials (vd2, vd3, and vd4) are derived. In addition, a simplified model is used to demonstrate that while vd3 can be of comparable importance to vd2, vd4 is inherently small and the series is rapidly convergent beyond three-ion interactions. Analytic model forms are also derived for vd2 and vd3 in the case of canonical d bands. In this limit, vd2 is purely attractive and varies with interatomic distance as r-10, while

The Impact Of Integrated Parameters In The Manga Local Mass-Metallicity Relation

Science.gov (United States)

Barrera-Ballesteros, Jorge K.

2016-09-01

We present the surface mass density - gas metallicity (Σ_*-Z) relation for more than 500,000 spatially-resolved star-forming regions from a sample of 617 disk galaxies included in the MaNGA survey. We find a tight relation between these local properties with higher metallicities as the surface density increases, resembling a scaled-down version of the relation found previously for their integrated counterparts. This relation expands over three orders of magnitude in the surface mass and a factor of 8 in metallicity. Our large sample allows us to study the impact of global properties in this local relation. In particular, we find that for most disk galaxies the Σ_*-Z relation does not depend on the total stellar mass. Even more, for a large fraction of our sample (log(M_*/M_{⊙}) > 9.2) the observed metallicity gradients are well reproduced by the mass density gradients and the Σ_*-Z relation. We also find that this relation does not change significantly within the range of redshifts span by our sample. Our results suggest as the predominant scenario for metal enrichment as gas been recycled locally at shorter timescales in comparison to other global processes such as gas accretion or outflows.

Topological expansion of the chain of matrices

International Nuclear Information System (INIS)

Eynard, B.; Ferrer, A. Prats

2009-01-01

We solve the loop equations to all orders in 1/N 2 , for the Chain of Matrices matrix model (with possibly an external field coupled to the last matrix of the chain). We show that the topological expansion of the free energy, is, like for the 1 and 2-matrix model, given by the symplectic invariants of [19]. As a consequence, we find the double scaling limit explicitly, and we discuss modular properties, large N asymptotics. We also briefly discuss the limit of an infinite chain of matrices (matrix quantum mechanics).

Newton`s iteration for inversion of Cauchy-like and other structured matrices

Energy Technology Data Exchange (ETDEWEB)

Pan, V.Y. [Lehman College, Bronx, NY (United States); Zheng, Ailong; Huang, Xiaohan; Dias, O. [CUNY, New York, NY (United States)

1996-12-31

We specify some initial assumptions that guarantee rapid refinement of a rough initial approximation to the inverse of a Cauchy-like matrix, by mean of our new modification of Newton`s iteration, where the input, output, and all the auxiliary matrices are represented with their short generators defined by the associated scaling operators. The computations are performed fast since they are confined to operations with short generators of the given and computed matrices. Because of the known correlations among various structured matrices, the algorithm is immediately extended to rapid refinement of rough initial approximations to the inverses of Vandermonde-like, Chebyshev-Vandermonde-like and Toeplitz-like matrices, where again, the computations are confined to operations with short generators of the involved matrices.

Characterization of the porous anodic alumina nanostructures with a metal interlayer on Si substrates

Energy Technology Data Exchange (ETDEWEB)

Fang, Chia-Hui; Chen, Hung-Ing; Hsiao, Jui-Ju; Wang, Jen-Cheng; Nee, Tzer-En, E-mail: neete@mail.cgu.edu.tw

2014-04-15

Porous anodic alumina (PAA) films produced by the anodization technique have made possible the mass production of porous nano-scale structures where the pore height and diameter are controllable. A metal interlayer is observed to have a significant influence on the characteristics of these PAA nanostructures. In this study, we investigate in-depth the effect of the current density on the properties of porous anodic alumina nanostructures with a metal interlayer. A thin film layer of tungsten (W) and titanium (Ti) was sandwiched between a porous anodic alumina film and a silicon (Si) substrate to form PAA/W/Si and PAA/Ti/Si structures. The material and optical characteristics of the porous anodic alumina nanostructures, with and without a metal interlayer, on silicon substrates were studied using the scanning electron microscopy, X-ray diffraction (XRD), and temperature-dependent photoluminescence (PL) measurements. The current densities of the porous anodic alumina nanostructures with the metal interlayer are higher than for the PAA/Si, resulting in an increase of the growth rate of the oxide layer. It can be observed from the X-ray diffraction curves that there is more aluminum oxide inside the structure with the metal interlayer. Furthermore, it has been found that there is a reduction in the photoluminescence intensity of the oxygen vacancy with only one electron due to the formation of oxygen vacancies inside the aluminum oxide during the re-crystallization process. This leads to competition between the two kinds of different oxygen-deficient defect centers (F+ and F centers) in the carrier recombination mechanism from the PL spectra of the porous anodic alumina nanostructures, with and without a metal interlayer, on silicon substrates. -- Highlights: • Study of porous anodic alumina (PAA) films with metal interlayers on silicon. • The highly ordered PAA film with a fairly regular nano-porous structure. • The luminescence properties of PAA films were

Agricultural matrices affect ground ant assemblage composition inside forest fragments.

Directory of Open Access Journals (Sweden)

Diego Santana Assis

Full Text Available The establishment of agricultural matrices generally involves deforestation, which leads to fragmentation of the remaining forest. This fragmentation can affect forest dynamics both positively and negatively. Since most animal species are affected, certain groups can be used to measure the impact of such fragmentation. This study aimed to measure the impacts of agricultural crops (matrices on ant communities of adjacent lower montane Atlantic rainforest fragments. We sampled nine forest fragments at locations surrounded by different agricultural matrices, namely: coffee (3 replicates; sugarcane (3; and pasture (3. At each site we installed pitfall traps along a 500 m transect from the interior of the matrix to the interior of the fragment (20 pitfall traps ~25 m apart. Each transect was partitioned into four categories: interior of the matrix; edge of the matrix; edge of the fragment; and interior of the fragment. For each sample site, we measured ant species richness and ant community composition within each transect category. Ant richness and composition differed between fragments and matrices. Each sample location had a specific composition of ants, probably because of the influence of the nature and management of the agricultural matrices. Species composition in the coffee matrix had the highest similarity to its corresponding fragment. The variability in species composition within forest fragments surrounded by pasture was greatest when compared with forest fragments surrounded by sugarcane or, to a lesser extent, coffee. Functional guild composition differed between locations, but the most representative guild was 'generalist' both in the agricultural matrices and forest fragments. Our results are important for understanding how agricultural matrices act on ant communities, and also, how these isolated forest fragments could act as an island of biodiversity in an 'ocean of crops'.

Agricultural matrices affect ground ant assemblage composition inside forest fragments.

Science.gov (United States)

Assis, Diego Santana; Dos Santos, Iracenir Andrade; Ramos, Flavio Nunes; Barrios-Rojas, Katty Elena; Majer, Jonathan David; Vilela, Evaldo Ferreira

2018-01-01

The establishment of agricultural matrices generally involves deforestation, which leads to fragmentation of the remaining forest. This fragmentation can affect forest dynamics both positively and negatively. Since most animal species are affected, certain groups can be used to measure the impact of such fragmentation. This study aimed to measure the impacts of agricultural crops (matrices) on ant communities of adjacent lower montane Atlantic rainforest fragments. We sampled nine forest fragments at locations surrounded by different agricultural matrices, namely: coffee (3 replicates); sugarcane (3); and pasture (3). At each site we installed pitfall traps along a 500 m transect from the interior of the matrix to the interior of the fragment (20 pitfall traps ~25 m apart). Each transect was partitioned into four categories: interior of the matrix; edge of the matrix; edge of the fragment; and interior of the fragment. For each sample site, we measured ant species richness and ant community composition within each transect category. Ant richness and composition differed between fragments and matrices. Each sample location had a specific composition of ants, probably because of the influence of the nature and management of the agricultural matrices. Species composition in the coffee matrix had the highest similarity to its corresponding fragment. The variability in species composition within forest fragments surrounded by pasture was greatest when compared with forest fragments surrounded by sugarcane or, to a lesser extent, coffee. Functional guild composition differed between locations, but the most representative guild was 'generalist' both in the agricultural matrices and forest fragments. Our results are important for understanding how agricultural matrices act on ant communities, and also, how these isolated forest fragments could act as an island of biodiversity in an 'ocean of crops'.

The importance of carbon nanotube wire density, structural uniformity, and purity for fabricating homogeneous carbon nanotube-copper wire composites by copper electrodeposition

Science.gov (United States)

Sundaram, Rajyashree; Yamada, Takeo; Hata, Kenji; Sekiguchi, Atsuko

2018-04-01

We present the influence of density, structural regularity, and purity of carbon nanotube wires (CNTWs) used as Cu electrodeposition templates on fabricating homogeneous high-electrical performance CNT-Cu wires lighter than Cu. We show that low-density CNTWs (wires) with regular macro- and microstructures and high CNT content (>90 wt %) are essential for making homogeneous CNT-Cu wires. These homogeneous CNT-Cu wires show a continuous Cu matrix with evenly mixed nanotubes of high volume fractions (˜45 vol %) throughout the wire-length. Consequently, the composite wires show densities ˜5.1 g/cm3 (33% lower than Cu) and electrical conductivities ˜6.1 × 104 S/cm (>100 × CNTW conductivity). However, composite wires from templates with higher densities or structural inconsistencies are non-uniform with discontinuous Cu matrices and poor CNT/Cu mixing. These non-uniform CNT-Cu wires show conductivities 2-6 times lower than the homogeneous composite wires.

Hierarchical Matrices Method and Its Application in Electromagnetic Integral Equations

Directory of Open Access Journals (Sweden)

Han Guo

2012-01-01

Full Text Available Hierarchical (H- matrices method is a general mathematical framework providing a highly compact representation and efficient numerical arithmetic. When applied in integral-equation- (IE- based computational electromagnetics, H-matrices can be regarded as a fast algorithm; therefore, both the CPU time and memory requirement are reduced significantly. Its kernel independent feature also makes it suitable for any kind of integral equation. To solve H-matrices system, Krylov iteration methods can be employed with appropriate preconditioners, and direct solvers based on the hierarchical structure of H-matrices are also available along with high efficiency and accuracy, which is a unique advantage compared to other fast algorithms. In this paper, a novel sparse approximate inverse (SAI preconditioner in multilevel fashion is proposed to accelerate the convergence rate of Krylov iterations for solving H-matrices system in electromagnetic applications, and a group of parallel fast direct solvers are developed for dealing with multiple right-hand-side cases. Finally, numerical experiments are given to demonstrate the advantages of the proposed multilevel preconditioner compared to conventional “single level” preconditioners and the practicability of the fast direct solvers for arbitrary complex structures.

The recurrence sequences via Sylvester matrices

Science.gov (United States)

Karaduman, Erdal; Deveci, Ömür

2017-07-01

In this work, we define the Pell-Jacobsthal-Slyvester sequence and the Jacobsthal-Pell-Slyvester sequence by using the Slyvester matrices which are obtained from the characteristic polynomials of the Pell and Jacobsthal sequences and then, we study the sequences defined modulo m. Also, we obtain the cyclic groups and the semigroups from the generating matrices of these sequences when read modulo m and then, we derive the relationships among the orders of the cyclic groups and the periods of the sequences. Furthermore, we redefine Pell-Jacobsthal-Slyvester sequence and the Jacobsthal-Pell-Slyvester sequence by means of the elements of the groups and then, we examine them in the finite groups.

Quantitative mass spectrometry of unconventional human biological matrices

Science.gov (United States)

Dutkiewicz, Ewelina P.; Urban, Pawel L.

2016-10-01

The development of sensitive and versatile mass spectrometric methodology has fuelled interest in the analysis of metabolites and drugs in unconventional biological specimens. Here, we discuss the analysis of eight human matrices-hair, nail, breath, saliva, tears, meibum, nasal mucus and skin excretions (including sweat)-by mass spectrometry (MS). The use of such specimens brings a number of advantages, the most important being non-invasive sampling, the limited risk of adulteration and the ability to obtain information that complements blood and urine tests. The most often studied matrices are hair, breath and saliva. This review primarily focuses on endogenous (e.g. potential biomarkers, hormones) and exogenous (e.g. drugs, environmental contaminants) small molecules. The majority of analytical methods used chromatographic separation prior to MS; however, such a hyphenated methodology greatly limits analytical throughput. On the other hand, the mass spectrometric methods that exclude chromatographic separation are fast but suffer from matrix interferences. To enable development of quantitative assays for unconventional matrices, it is desirable to standardize the protocols for the analysis of each specimen and create appropriate certified reference materials. Overcoming these challenges will make analysis of unconventional human biological matrices more common in a clinical setting. This article is part of the themed issue 'Quantitative mass spectrometry'.

NANOSTRUCTURED METAL OXIDE CATALYSTS VIA BUILDING BLOCK SYNTHESES

Energy Technology Data Exchange (ETDEWEB)

Craig E. Barnes

2013-03-05

A broadly applicable methodology has been developed to prepare new single site catalysts on silica supports. This methodology requires of three critical components: a rigid building block that will be the main structural and compositional component of the support matrix; a family of linking reagents that will be used to insert active metals into the matrix as well as cross link building blocks into a three dimensional matrix; and a clean coupling reaction that will connect building blocks and linking agents together in a controlled fashion. The final piece of conceptual strategy at the center of this methodology involves dosing the building block with known amounts of linking agents so that the targeted connectivity of a linking center to surrounding building blocks is obtained. Achieving targeted connectivities around catalytically active metals in these building block matrices is a critical element of the strategy by which single site catalysts are obtained. This methodology has been demonstrated with a model system involving only silicon and then with two metal-containing systems (titanium and vanadium). The effect that connectivity has on the reactivity of atomically dispersed titanium sites in silica building block matrices has been investigated in the selective oxidation of phenols to benezoquinones. 2-connected titanium sites are found to be five times as active (i.e. initial turnover frequencies) than 4-connected titanium sites (i.e. framework titanium sites).

Metal-like Band Structures of Ultrathin Si {111} and {112} Surface Layers Revealed through Density Functional Theory Calculations.

Science.gov (United States)

Tan, Chih-Shan; Huang, Michael H

2017-09-04

Density functional theory calculations have been performed on Si (100), (110), (111), and (112) planes with tunable number of planes for evaluation of their band structures and density of states profiles. The purpose is to see whether silicon can exhibit facet-dependent properties derived from the presence of a thin surface layer having different band structures. No changes have been observed for single to multiple layers of Si (100) and (110) planes with a consistent band gap between the valence band and the conduction band. However, for 1, 2, 4, and 5 Si (111) and (112) planes, metal-like band structures were obtained with continuous density of states going from the valence band to the conduction band. For 3, 6, and more Si (111) planes, as well as 3 and 6 Si (112) planes, the same band structure as that seen for Si (100) and (110) planes has been obtained. Thus, beyond a layer thickness of five Si (111) planes at ≈1.6 nm, normal semiconductor behavior can be expected. The emergence of metal-like band structures for the Si (111) and (112) planes are related to variation in Si-Si bond length and bond distortion plus 3s and 3p orbital electron contributions in the band structure. This work predicts possession of facet-dependent electrical properties of silicon with consequences in FinFET transistor design. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

A SEARCH FOR OXYGEN IN THE LOW-DENSITY Lyα FOREST USING THE SLOAN DIGITAL SKY SURVEY

International Nuclear Information System (INIS)

Pieri, Matthew M.; Frank, Stephan; Mathur, Smita; Weinberg, David H.; York, Donald G.; Oppenheimer, Benjamin D.

2010-01-01

We use 2167 Sloan Digital Sky Survey quasar spectra to search for low-density oxygen in the intergalactic medium (IGM). Oxygen absorption is detected on a pixel-by-pixel basis by its correlation with Lyα forest absorption. We have developed a novel locally calibrated pixel (LCP) search method that uses adjacent regions of the spectrum to calibrate interlopers and spectral artifacts, which would otherwise limit the measurement of O VI absorption. Despite the challenges presented by searching for weak O VI within the Lyα forest in spectra of moderate resolution and signal-to-noise, we find a highly significant detection of absorption by oxygen at 2.7 2 = 80 for nine data points). We interpret our results using synthetic spectra generated from a log-normal density field assuming a mixed quasar-galaxy photoionizing background and that it dominates the ionization fraction of detected O VI. The LCP search data can be fit by a constant metallicity model with [O/H] = -2.15 +0.07 -0.09 but also by models in which low-density regions are unenriched and higher density regions have a higher metallicity. The density-dependent enrichment model by Aguirre et al. is also an acceptable fit. All our successful models have similar mass-weighted oxygen abundance, corresponding to [(O/H) MW ] = -2.45 ± 0.06. This result can be used to find the cosmic oxygen density in the Lyα forest, Ω Oxy,IGM = 1.4(±0.2) x 10 -6 ∼ 3 x 10 -4 Ω b . This is the tightest constraint on the mass-weighted mean oxygen abundance and the cosmic oxygen density in the Lyα forest to date and indicates that it contains ∼16% of the total expected metal production by star formation up to z = 3.

Density Functional Theory Calculations Revealing Metal-like Band Structures for Ultrathin Ge {111} and {211} Surface Layers.

Science.gov (United States)

Tan, Chih-Shan; Huang, Michael Hsuan-Yi

2018-05-21

To find out if germanium should also possess facet-dependent electrical conductivity properties, surface state density functional theory (DFT) calculations were performed on 1-6 layers of Ge (100), (110), (111), and (211) planes. Tunable Ge (100) and (110) planes always present the same semiconducting band structure with a band gap of 0.67 eV expected of bulk germanium. In contrast, 1, 2, 4, and 5 layers of Ge (111) and (211) plane models show metal-like band structures with continuous density of states (DOS) throughout the entire band. For 3 and 6 layers of Ge (111) and (211) plane models, the normal semiconducting band structure was obtained. The plane layers with metal-like band structures also show Ge-Ge bond length deviations and bond distortions, as well as significantly different 4s and 4p frontier orbital electron count and their relative percentages integrated over the valence and conduction bands from those of the semiconducting state. These differences should contribute to strikingly dissimilar band structures. The calculation results suggest observation of facet-dependent electrical conductivity properties of germanium materials, and transistors made of germanium may also need to consider the facet effects with shrinking dimensions approaching 3 nm. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Flexible Bayesian Dynamic Modeling of Covariance and Correlation Matrices

KAUST Repository

Lan, Shiwei

2017-11-08

Modeling covariance (and correlation) matrices is a challenging problem due to the large dimensionality and positive-definiteness constraint. In this paper, we propose a novel Bayesian framework based on decomposing the covariance matrix into variance and correlation matrices. The highlight is that the correlations are represented as products of vectors on unit spheres. We propose a variety of distributions on spheres (e.g. the squared-Dirichlet distribution) to induce flexible prior distributions for covariance matrices that go beyond the commonly used inverse-Wishart prior. To handle the intractability of the resulting posterior, we introduce the adaptive $\\\\Delta$-Spherical Hamiltonian Monte Carlo. We also extend our structured framework to dynamic cases and introduce unit-vector Gaussian process priors for modeling the evolution of correlation among multiple time series. Using an example of Normal-Inverse-Wishart problem, a simulated periodic process, and an analysis of local field potential data (collected from the hippocampus of rats performing a complex sequence memory task), we demonstrated the validity and effectiveness of our proposed framework for (dynamic) modeling covariance and correlation matrices.

Characterisation of crystal matrices and single pixels for nuclear medicine applications

International Nuclear Information System (INIS)

Herbert, D.J.; Belcari, N.; Camarda, M.; Del Guerra, A.; Vaiano, A.

2005-01-01

Commercially constructed crystal matrices are characterised for use with PSPMT detectors for PET system developments and other nuclear medicine applications. The matrices of different scintillation materials were specified with pixel dimensions of 1.5x1.5 mm 2 in cross-section and a length corresponding to one gamma ray interaction length at 511 keV. The materials used in this study were BGO, LSO, LYSO, YSO and CsI(Na). Each matrix was constructed using a white TiO loaded epoxy that forms a 0.2 mm septa between each pixel. The white epoxy is not the optimum choice in terms of the reflective properties, but represents a good compromise between cost and the need for optical isolation between pixels. We also tested a YAP matrix that consisted of pixels of the same size specification but was manufactured by a different company, who instead of white epoxy, used a thin aluminium reflective layer for optical isolation that resulted in a septal thickness of just 0.01 mm, resulting in a much higher packing fraction. The characteristics of the scintillation materials, such as the light output and energy resolution, were first studied in the form of individual crystal elements by using a single pixel HPD. A comparison of individual pixels with and without the epoxy or dielectric coatings was also performed. Then the matrices themselves were coupled to a PSPMT in order to study the imaging performance. In particular, the system pixel resolution and the peak to valley ratio were measured at 511 and 122 keV

Controlling the interface charge density in GaN-based metal-oxide-semiconductor heterostructures by plasma oxidation of metal layers

International Nuclear Information System (INIS)

Hahn, Herwig; Kalisch, Holger; Vescan, Andrei; Pécz, Béla; Kovács, András; Heuken, Michael

2015-01-01

In recent years, investigating and engineering the oxide-semiconductor interface in GaN-based devices has come into focus. This has been driven by a large effort to increase the gate robustness and to obtain enhancement mode transistors. Since it has been shown that deep interface states act as fixed interface charge in the typical transistor operating regime, it appears desirable to intentionally incorporate negative interface charge, and thus, to allow for a positive shift in threshold voltage of transistors to realise enhancement mode behaviour. A rather new approach to obtain such negative charge is the plasma-oxidation of thin metal layers. In this study, we present transmission electron microscopy and energy dispersive X-ray spectroscopy analysis as well as electrical data for Al-, Ti-, and Zr-based thin oxide films on a GaN-based heterostructure. It is shown that the plasma-oxidised layers have a polycrystalline morphology. An interfacial amorphous oxide layer is only detectable in the case of Zr. In addition, all films exhibit net negative charge with varying densities. The Zr layer is providing a negative interface charge density of more than 1 × 10 13  cm –2 allowing to considerably shift the threshold voltage to more positive values

An introduction to the theory of canonical matrices

CERN Document Server

Turnbull, H W

2004-01-01

Thorough and self-contained, this penetrating study of the theory of canonical matrices presents a detailed consideration of all the theory's principal features. Topics include elementary transformations and bilinear and quadratic forms; canonical reduction of equivalent matrices; subgroups of the group of equivalent transformations; and rational and classical canonical forms. The final chapters explore several methods of canonical reduction, including those of unitary and orthogonal transformations. 1952 edition. Index. Appendix. Historical notes. Bibliographies. 275 problems.

Complementary Set Matrices Satisfying a Column Correlation Constraint

OpenAIRE

Wu, Di; Spasojevic, Predrag

2006-01-01

Motivated by the problem of reducing the peak to average power ratio (PAPR) of transmitted signals, we consider a design of complementary set matrices whose column sequences satisfy a correlation constraint. The design algorithm recursively builds a collection of $2^{t+1}$ mutually orthogonal (MO) complementary set matrices starting from a companion pair of sequences. We relate correlation properties of column sequences to that of the companion pair and illustrate how to select an appropriate...

Study of trace metals in phosphorite by instrumental neutron activation analysis

International Nuclear Information System (INIS)

Delgado, J.U.

1984-01-01

Methods to determine U, Th and other constituent elements in mineral matrices by the instrumental neutron activation analysis (INAA) have been widely developed. The precise knowledge of these constituent elements is very important for the nuclear technology development. This justifies the use of a technique capable to extract information from small samples. The present work aimed the study of the phosphorites deriving from the State of Pernambuco (PE, Brazil). Its uranium concentration corresponds to one of the highest values found in industrial exploration of phosphate rocks. An experimental methodology based on the INAA associated to the cluster technique was developed. Concentrations of 22 different elements present in the ore were determined with less than 10% uncertainty. The results have shown high correlations in behavior between uranium and rare earth metals. However, the inverse was noted in relation to transition metals. These results indicate the applicability of this method to determine concentrations as well as to classify correlated element groups in mineral matrices. (Author) [pt

Hamiltonian structure of isospectral deformation equation and semi-classical approximation to factorized S-matrices

International Nuclear Information System (INIS)

Chudnovsky, D.V.; Chudnovsky, G.V.

1980-01-01

We consider semi-classical approximation to factorized S-matrices. We show that this new class of matrices, called s-matrices, defines Hamiltonian structures for isospectral deformation equations. Concrete examples of factorized s-matrices are constructed and they are used to define Hamiltonian structure for general two-dimensional isospectral deformation systems. (orig.)

Self-orthogonal codes from some bush-type Hadamard matrices ...

African Journals Online (AJOL)

By means of a construction method outlined by Harada and Tonchev, we determine some non-binary self-orthogonal codes obtained from the row span of orbit matrices of Bush-type Hadamard matrices that admit a xed-point-free and xed-block-free automorphism of prime order. We show that the code [20; 15; 4]5 obtained ...

Some thoughts on positive definiteness in the consideration of nuclear data covariance matrices

Energy Technology Data Exchange (ETDEWEB)

Geraldo, L.P.; Smith, D.L.

1988-01-01

Some basic mathematical features of covariance matrices are reviewed, particularly as they relate to the property of positive difiniteness. Physical implications of positive definiteness are also discussed. Consideration is given to an examination of the origins of non-positive definite matrices, to procedures which encourage the generation of positive definite matrices and to the testing of covariance matrices for positive definiteness. Attention is also given to certain problems associated with the construction of covariance matrices using information which is obtained from evaluated data files recorded in the ENDF format. Examples are provided to illustrate key points pertaining to each of the topic areas covered.

Some thoughts on positive definiteness in the consideration of nuclear data covariance matrices

International Nuclear Information System (INIS)

Geraldo, L.P.; Smith, D.L.

1988-01-01

Some basic mathematical features of covariance matrices are reviewed, particularly as they relate to the property of positive difiniteness. Physical implications of positive definiteness are also discussed. Consideration is given to an examination of the origins of non-positive definite matrices, to procedures which encourage the generation of positive definite matrices and to the testing of covariance matrices for positive definiteness. Attention is also given to certain problems associated with the construction of covariance matrices using information which is obtained from evaluated data files recorded in the ENDF format. Examples are provided to illustrate key points pertaining to each of the topic areas covered

Hydrobiological constraints of trace metals in surface water, coastal ...

African Journals Online (AJOL)

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2007-10-18