Tetrahedral meshing via maximal Poisson-disk sampling
Guo, Jianwei
2016-02-15
In this paper, we propose a simple yet effective method to generate 3D-conforming tetrahedral meshes from closed 2-manifold surfaces. Our approach is inspired by recent work on maximal Poisson-disk sampling (MPS), which can generate well-distributed point sets in arbitrary domains. We first perform MPS on the boundary of the input domain, we then sample the interior of the domain, and we finally extract the tetrahedral mesh from the samples by using 3D Delaunay or regular triangulation for uniform or adaptive sampling, respectively. We also propose an efficient optimization strategy to protect the domain boundaries and to remove slivers to improve the meshing quality. We present various experimental results to illustrate the efficiency and the robustness of our proposed approach. We demonstrate that the performance and quality (e.g., minimal dihedral angle) of our approach are superior to current state-of-the-art optimization-based approaches.
Binary Tetrahedral Flavor Symmetry
Eby, David A
2013-01-01
A study of the T' Model and its variants utilizing Binary Tetrahedral Flavor Symmetry. We begin with a description of the historical context and motivations for this theory, together with some conceptual background for added clarity, and an account of our theory's inception in previous works. Our model endeavors to bridge two categories of particles, leptons and quarks, a unification made possible by the inclusion of additional Higgs particles, shared between the two fermion sectors and creating a single coherent system. This is achieved through the use of the Binary Tetrahedral symmetry group and an investigation of the Tribimaximal symmetry evidenced by neutrinos. Our work details perturbations and extensions of this T' Model as we apply our framework to neutrino mixing, quark mixing, unification, and dark matter. Where possible, we evaluate model predictions against experimental results and find excellent matching with the atmospheric and reactor neutrino mixing angles, an accurate prediction of the Cabibb...
Purely tetrahedral quadruple systems
JI Lijun
2006-01-01
An oriented tetrahedron is a set of four vertices and four cyclic triples with the property that any ordered pair of vertices is contained in exactly one of the cyclic triples. A tetrahedral quadruple system of order n (briefly TQS(n)) is a pair (X,B), where X is an nelement set and B is a set of oriented tetrahedra such that every cyclic triple on X is contained in a unique member of B. A TQS(n) (X, B) is pure if there do not exist two oriented tetrahedra with the same vertex set. In this paper, we show that there is a pure TQS(n) if and only if n≡2,4(mod 6),n＞4,or n≡1,5(mod 12). One corollary is that there is a simple two-fold quadruple system of order n if and only if n≡2,4 (mod 6) and n＞4, or n≡1, 5 (mod 12).Another corollary is that there is an overlarge set of pure Mendelsohn triple systems of order n for n≡1,3(mod 6),n＞3, or n≡0,4 (mod 12).
Tetrahedral Order in Liquid Crystals
Pleiner, Harald; Brand, Helmut R.
2016-10-01
We review the impact of tetrahedral order on the macroscopic dynamics of bent-core liquid crystals. We discuss tetrahedral order comparing with other types of orientational order, like nematic, polar nematic, polar smectic, and active polar order. In particular, we present hydrodynamic equations for phases, where only tetrahedral order exists or tetrahedral order is combined with nematic order. Among the latter, we discriminate between three cases, where the nematic director (a) orients along a fourfold, (b) along a threefold symmetry axis of the tetrahedral structure, or (c) is homogeneously uncorrelated with the tetrahedron. For the optically isotropic T d phase, which only has tetrahedral order, we focus on the coupling of flow with, e.g., temperature gradients and on the specific orientation behavior in external electric fields. For the transition to the nematic phase, electric fields lead to a temperature shift that is linear in the field strength. Electric fields induce nematic order, again linear in the field strength. If strong enough, electric fields can change the tetrahedral structure and symmetry leading to a polar phase. We briefly deal with the T phase that arises when tetrahedral order occurs in a system of chiral molecules. To case (a), defined above, belong (i) the non-polar, achiral, optically uniaxial D2d phase with ambidextrous helicity (due to a linear gradient free energy contribution) and with orientational frustration in external fields, (ii) the non-polar tetragonal S4 phase, (iii) the non-polar, orthorhombic D2 phase that is structurally chiral featuring ambidextrous chirality, (iv) the polar orthorhombic C2v phase, and (v) the polar, structurally chiral, monoclinic C2 phase. Case (b) results in a trigonal C3v phase that behaves like a biaxial polar nematic phase. An example for case (c) is a splay bend phase, where the ground state is inhomogeneous due to a linear gradient free energy contribution. Finally, we discuss some experiments
An Improved Linear Tetrahedral Element for Plasticity
Puso, M
2005-04-25
A stabilized, nodally integrated linear tetrahedral is formulated and analyzed. It is well known that linear tetrahedral elements perform poorly in problems with plasticity, nearly incompressible materials, and acute bending. For a variety of reasons, linear tetrahedral elements are preferable to quadratic tetrahedral elements in most nonlinear problems. Whereas, mixed methods work well for linear hexahedral elements, they don't for linear tetrahedrals. On the other hand, automatic mesh generation is typically not feasible for building many 3D hexahedral meshes. A stabilized, nodally integrated linear tetrahedral is developed and shown to perform very well in problems with plasticity, nearly incompressible materials and acute bending. Furthermore, the formulation is analytically and numerically shown to be stable and optimally convergent. The element is demonstrated to perform well in several standard linear and nonlinear benchmarks.
Tetrahedral Units: For Dodecahedral Super-Structures
Ortiz, Y; Liebman, J F
2016-01-01
Different novel organic-chemical possibilities for tetrahedral building units are considered, with attention to their utility in constructing different super-structures. As a representative construction we consider the use of sets of 20 such identical tetrahedral units to form a super-dodecahedron.
Building Tetrahedral Kites. Grades 6-8.
Rushton, Erik; Ryan, Emily; Swift, Charles
Working in teams of four, students build a tetrahedral kite following a specific set of directions and using specific provided materials. Students use basic processes of manufacturing systems-- cutting, shaping, forming, conditioning, assembling, joining, finishing, and quality control--to manufacture a complete tetrahedral kite within a given…
NEW RSW & Wall Medium Fully Tetrahedral Grid
National Aeronautics and Space Administration — New Medium Fully Tetrahedral RSW Grid with viscous wind tunnel wall at the root. This grid is for a node-based unstructured solver. Medium Tet: Quad Surface Faces= 0...
NEW RSW & Wall Fine Fully Tetrahedral Grid
National Aeronautics and Space Administration — NEW RSW Fine Fully Tetrahedral Grid with Viscous Wind Tunnel wall at the root. This grid is for a node-based unstructured solver. Note that the CGNS file is very...
On local cohomology of a tetrahedral curve
Giang, Do Hoang
2009-01-01
It is shown that the diameter $\\diam (H^1_\\mfr(R/I))$ of the first local cohomology module of a tetrahedral curve $C= C(a_1,...,a_6)$ can be explicitly expressed in terms of the $a_i$ and is the smallest non-negative integer $k$ such that $\\mfr^k H^1_\\mfr(R/I)=0$. From that one can describe all arithmetically Cohen-Macaulay or Buchsbaum tetrahedral curves.
Tetrahedrality and hydrogen bonds in water
Székely, Eszter; Varga, Imre K.; Baranyai, András
2016-06-01
We carried out extensive calculations of liquid water at different temperatures and pressures using the BK3 model suggested recently [P. T. Kiss and A. Baranyai, J. Chem. Phys. 138, 204507 (2013)]. In particular, we were interested in undercooled regions to observe the propensity of water to form tetrahedral coordination of closest neighbors around a central molecule. We compared the found tetrahedral order with the number of hydrogen bonds and with the partial pair correlation functions unfolded as distributions of the closest, the second closest, etc. neighbors. We found that contrary to the number of hydrogen bonds, tetrahedrality changes substantially with state variables. Not only the number of tetrahedral arrangements increases with lowering the pressure, the density, and the temperature but the domain size of connecting tetrahedral structures as well. The difference in tetrahedrality is very pronounced between the two sides of the Widom line and even more so between the low density amorphous (LDA) and high density amorphous (HDA) phases. We observed that in liquid water and in HDA, the 5th water molecule, contrary to ice and LDA, is positioned between the first and the second coordination shell. We found no convincing evidence of structural heterogeneity or regions referring to structural transition.
Synthesis of heteroatom end-functionalized polyethene with lanthanide and transition-metal catalysts
Hessen, Bart; Ringelberg, Stephanie N.; Meppelder, Geert-Jan; Teuben, Jan H.
2000-01-01
Incorporation of heteroatom functionalities in the catalytic formation of polyolefin materials can be accomplished either by copolymerization of the olefin with an olefinic substrate that has a heteroatom-containing substituent, or by using a heteroatom-containing chain-transfer agent. In the first
Search for Tetrahedral Symmetry in 70Ge
Le, Khanh; Haring-Kaye, R. A.; Elder, R. M.; Jones, K. D.; Morrow, S. I.; Tabor, S. L.; Tripathi, V.; Bender, P. C.; Allegro, P. R. P.; Medina, N. H.; Oliveira, J. R. B.; Doring, J.
2014-09-01
The even-even Ge isotopes have recently become an active testing ground for a variety of exotic structural characteristics, including the existence of tetrahedral symmetry (pyramid-like shapes). Although theoretical shape calculations predict the onset of tetrahedral symmetry near 72Ge, the experimental signatures (including vanishing quadrupole moments within high-spin bands) remain elusive. This study searched for possible experimental evidence of tetrahedral symmetry in 70Ge. Excited states in 70Ge were populated at Florida State University using the 55Mn(18O,p2n) fusion-evaporation reaction at 50 MeV. Prompt γ- γ coincidences were measured with a Compton-suppressed Ge array consisting of three Clover detectors and seven single-crystal detectors. The existing level scheme was enhanced through the addition of 20 new transitions and the rearrangement of five others based on the measured coincidence relations and relative intensities. Lifetimes of 24 states were measured using the Doppler-shift attenuation method, from which transition quadrupole moments were inferred. These results will be compared with those obtained from cranked Woods-Saxon calculations. The even-even Ge isotopes have recently become an active testing ground for a variety of exotic structural characteristics, including the existence of tetrahedral symmetry (pyramid-like shapes). Although theoretical shape calculations predict the onset of tetrahedral symmetry near 72Ge, the experimental signatures (including vanishing quadrupole moments within high-spin bands) remain elusive. This study searched for possible experimental evidence of tetrahedral symmetry in 70Ge. Excited states in 70Ge were populated at Florida State University using the 55Mn(18O,p2n) fusion-evaporation reaction at 50 MeV. Prompt γ- γ coincidences were measured with a Compton-suppressed Ge array consisting of three Clover detectors and seven single-crystal detectors. The existing level scheme was enhanced through the addition
TETRAHEDRAL Cm INTERPOLATION BY RATIONAL FUNCTIONS
Guo-liang Xu; Chuan I Chu; Wei-min Xue
2001-01-01
A general local Cm(m ≥ 0) tetrahedral interpolation scheme bypolynomials of degree 4m + l plus low order rational functions from the given data is proposed. The scheme can have either 4m + l order algebraic precision if C2m data at vertices and Cm data on faces are given or k + E[k/3] + 1 order algebraic precision if Ck (k ≤ 2m) data are given at vertices. The resulted interpolant and its partial derivatives of up to order m are polynomials on the boundaries of the tetrahedra.
ALGORITHMS FOR TETRAHEDRAL NETWORK (TEN) GENERATION
无
2000-01-01
The Tetrahedral Network(TEN) is a powerful 3-D vector structure in GIS, which has a lot of advantages such as simple structure, fast topological relation processing and rapid visualization. The difficulty of TEN application is automatic creating data structure. Al though a raster algorithm has been introduced by some authors, the problems in accuracy, memory requirement, speed and integrity are still existent. In this paper, the raster algorithm is completed and a vector algorithm is presented after a 3-D data model and structure of TEN have been introducted. Finally, experiment, conclusion and future work are discussed.
Brendle, Joerg
2016-01-01
We show that, consistently, there can be maximal subtrees of P (omega) and P (omega) / fin of arbitrary regular uncountable size below the size of the continuum. We also show that there are no maximal subtrees of P (omega) / fin with countable levels. Our results answer several questions of Campero, Cancino, Hrusak, and Miranda.
Phase diagram of a truncated tetrahedral model
Krcmar, Roman; Gendiar, Andrej; Nishino, Tomotoshi
2016-08-01
Phase diagram of a discrete counterpart of the classical Heisenberg model, the truncated tetrahedral model, is analyzed on the square lattice, when the interaction is ferromagnetic. Each spin is represented by a unit vector that can point to one of the 12 vertices of the truncated tetrahedron, which is a continuous interpolation between the tetrahedron and the octahedron. Phase diagram of the model is determined by means of the statistical analog of the entanglement entropy, which is numerically calculated by the corner transfer matrix renormalization group method. The obtained phase diagram consists of four different phases, which are separated by five transition lines. In the parameter region, where the octahedral anisotropy is dominant, a weak first-order phase transition is observed.
ENHANCING ADHESION OF TETRAHEDRAL AMORPHOUS CARBON FILMS
Zhao Yuqing; Lin Yi; Wang Xiaoyan; Wang Yanwu; Wei Xinyu
2005-01-01
Objective The high energy ion bombardment technique is applied to enhancing the adhesion of the tetrahedral amorphous carbon (TAC) films deposited by the filtered cathode vacuum arc (FCVA). Methods The abrasion method, scratch method, heating and shaking method as well as boiling salt solution method is used to test the adhesion of the TAC films on various material substrates. Results The test results show that the adhesion is increased as the ion bombardment energy increases. However, if the bombardment energy were over the corresponding optimum value, the adhesion would be enhanced very slowly for the harder material substrates and drops quickly, for the softer ones. Conclusion The optimum values of the ion bombardment energy are larger for the harder materials than that for the softer ones.
K B Athreya
2009-09-01
It is shown that (i) every probability density is the unique maximizer of relative entropy in an appropriate class and (ii) in the class of all pdf that satisfy $\\int fh_id_=_i$ for $i=1,2,\\ldots,\\ldots k$ the maximizer of entropy is an $f_0$ that is proportional to $\\exp(\\sum c_i h_i)$ for some choice of $c_i$. An extension of this to a continuum of constraints and many examples are presented.
Heteroatom-Doped Carbon Nanostructures Derived from Conjugated Polymers for Energy Applications
Yanzhen He
2016-10-01
Full Text Available Heteroatom-doped carbon materials have been one of the most remarkable families of materials with promising applications in fuel cells, supercapacitors, and batteries. Among them, conjugated polymer (CP-derived heteroatom-doped carbon materials exhibit remarkable electrochemical performances because the heteroatoms can be preserved at a relatively high content and keep stable under harsh working conditions. In this review, we summarized recent advances in the rational design and various applications of CP-derived heteroatom-doped carbon materials, including polyaniline (PANI, polypyrrole (PPy, and their ramification-derived carbons, as well as transition metal-carbon nanocomposites. The key point of considering CP-derived heteroatom-doped carbon materials as important candidates of electrode materials is that CPs contain only nonmetallic elements and some key heteroatoms in their backbones which provide great chances for the synthesis of metal-free heteroatom-doped carbon nanostructures. The presented examples in this review will provide new insights in designing and optimizing heteroatom-doped carbon materials for the development of anode and cathode materials for electrochemical device applications.
Streaming Compression of Tetrahedral Volume Meshes
Isenburg, M; Lindstrom, P; Gumhold, S; Shewchuk, J
2005-11-21
Geometry processing algorithms have traditionally assumed that the input data is entirely in main memory and available for random access. This assumption does not scale to large data sets, as exhausting the physical memory typically leads to IO-inefficient thrashing. Recent works advocate processing geometry in a 'streaming' manner, where computation and output begin as soon as possible. Streaming is suitable for tasks that require only local neighbor information and batch process an entire data set. We describe a streaming compression scheme for tetrahedral volume meshes that encodes vertices and tetrahedra in the order they are written. To keep the memory footprint low, the compressor is informed when vertices are referenced for the last time (i.e. are finalized). The compression achieved depends on how coherent the input order is and how many tetrahedra are buffered for local reordering. For reasonably coherent orderings and a buffer of 10,000 tetrahedra, we achieve compression rates that are only 25 to 40 percent above the state-of-the-art, while requiring drastically less memory resources and less than half the processing time.
Details of tetrahedral anisotropic mesh adaptation
Jensen, Kristian Ejlebjerg; Gorman, Gerard
2016-04-01
We have implemented tetrahedral anisotropic mesh adaptation using the local operations of coarsening, swapping, refinement and smoothing in MATLAB without the use of any for- N loops, i.e. the script is fully vectorised. In the process of doing so, we have made three observations related to details of the implementation: 1. restricting refinement to a single edge split per element not only simplifies the code, it also improves mesh quality, 2. face to edge swapping is unnecessary, and 3. optimising for the Vassilevski functional tends to give a little higher value for the mean condition number functional than optimising for the condition number functional directly. These observations have been made for a uniform and a radial shock metric field, both starting from a structured mesh in a cube. Finally, we compare two coarsening techniques and demonstrate the importance of applying smoothing in the mesh adaptation loop. The results pertain to a unit cube geometry, but we also show the effect of corners and edges by applying the implementation in a spherical geometry.
Computer model of tetrahedral amorphous diamond
Djordjević, B. R.; Thorpe, M. F.; Wooten, F.
1995-08-01
We computer generate a model of amorphous diamond using the Wooten-Weaire method, with fourfold coordination everywhere. We investigate two models: one where four-membered rings are allowed and the other where the four-membered rings are forbidden; each model consisting of 4096 atoms. Starting from the perfect diamond crystalline structure, we first randomize the structure by introducing disorder through random bond switches at a sufficiently high temperature. Subsequently, the temperature is reduced in stages, and the topological and geometrical relaxation of the structure takes place using the Keating potential. After a long annealing process, a random network of comparatively low energy is obtained. We calculate the pair distribution function, mean bond angle, rms angular deviation, rms bond length, rms bond-length deviation, and ring statistics for the final relaxed structures. We minimize the total strain energy by adjusting the density of the sample. We compare our results with similar computer-generated models for amorphous silicon, and with experimental measurement of the structure factor for (predominantly tetrahedral) amorphous carbon.
Fan, Mengmeng; Huang, Yang; Yuan, Fanshu; Hao, Qingli; Yang, Jiazhi; Sun, Dongping
2017-10-01
N-doped graphene has been widely researched as metal-free electrocatalyst and electrode material of energy storage devices but the effect of heteroatom species and topographic defects on these applications was rarely reported. We successfully prepared dual (N, S) or ternary heteroatoms (N, S, P)-doped graphene by simple hydrothermal and then carbonization treatment. Compared to singly N doping, multiple heteroatom species dopant is beneficial to positively move onset potential, approach four electron catalytic pathway in oxygen reduction reaction (ORR) due to the synergistic effect. The emerging topographic defects induced by removing heteroatoms and oxygen at high temperature also act as efficient active sites for positively shifting onset potential. Meanwhile, the porous ternary heteroatoms-doped graphene possesses a good capacitive performance such as high gravimetric capacitance (196.4 Fg-1 at 1 Ag-1), high retained rate (92.7%), 98% retention over 2000 recycling. The excellent capacitive properties derive from large specific surface area (943.5 m2 g-1), mesoporous structure, particularly the important role of abundant dopants of multiple heteroatom species. Therefore, we demonstrated the effect of heteroatom species and topographic defects on electrocatalyzing ORR and capacitive performance.
Goldfarb, Jillian L; Suuberg, Eric M
2010-08-01
Despite the relatively small atomic fraction of a given heteroatom in a binary mixture of polycyclic aromatic compounds (PAC), the inclusion of heteroatomic substituted compounds can significantly impact mixture vapor pressure behavior over a wide range of temperatures. The vapor pressures of several binary PAC mixtures containing various heteroatoms show varying behavior, from practically ideal behavior following Raoult's law to significant deviations from ideality depending on the heteroatom(s) present in the mixture. Mixtures were synthesized using the quench-cool technique with equimolar amounts of two PAC, both containing heteroatoms such as aldehyde, carboxyl, nitrogen, and sulfur substituent groups. For some mixtures, deviation from ideality is inversely related to temperature, though in other cases we see deviations from ideality increasing with temperature, whereas some appear independent of temperature. Most commonly we see lower vapor pressures than predicted by Raoult's law, which indicates that the interacting heteroatoms prefer the solid mixture phase as opposed to the vapor phase. Although negative deviations predominate from Raoult's Law, the varying mixtures investigated show both higher and lower enthalpies and entropies of sublimation than predicted. In each mixture, a higher enthalpy of sublimation leads to higher entropy of sublimation than predicted, and vice versa.
Turning Indium Oxide into a Superior Electrocatalyst: Deterministic Heteroatoms
Zhang, Bo; Zhang, Nan Nan; Chen, Jian Fu; Hou, Yu; Yang, Shuang; Guo, Jian Wei; Yang, Xiao Hua; Zhong, Ju Hua; Wang, Hai Feng; Hu, P.; Zhao, Hui Jun; Yang, Hua Gui
2013-10-01
The efficient electrocatalysts for many heterogeneous catalytic processes in energy conversion and storage systems must possess necessary surface active sites. Here we identify, from X-ray photoelectron spectroscopy and density functional theory calculations, that controlling charge density redistribution via the atomic-scale incorporation of heteroatoms is paramount to import surface active sites. We engineer the deterministic nitrogen atoms inserting the bulk material to preferentially expose active sites to turn the inactive material into a sufficient electrocatalyst. The excellent electrocatalytic activity of N-In2O3 nanocrystals leads to higher performance of dye-sensitized solar cells (DSCs) than the DSCs fabricated with Pt. The successful strategy provides the rational design of transforming abundant materials into high-efficient electrocatalysts. More importantly, the exciting discovery of turning the commonly used transparent conductive oxide (TCO) in DSCs into counter electrode material means that except for decreasing the cost, the device structure and processing techniques of DSCs can be simplified in future.
Substitutional doping of carbon nanotubes with heteroatoms and their chemical applications.
Zhang, Yexin; Zhang, Jian; Su, Dang Sheng
2014-05-01
The electronic properties of carbon nanotubes (CNTs) can be tuned by substitutional doping with heteroatoms (mainly B and N) to expand the applications of CNTs. Based on the comprehensive understanding of the substitutional doping of CNTs, it should be possible to deliberately design doped CNTs for specific purposes. Thus, relevant experimental and theoretical works are reviewed herein in an attempt to correlate the synthetic methods, electronic properties, and applications of heteroatom-doped CNTs. The distribution and arrangement of heteroatoms in the graphitic lattice of CNTs can be modulated through the choice of synthetic conditions, which would further lead to different electronic properties of CNTs for their chemical applications.
Microporous carbon nanosheets with redox-active heteroatoms for pseudocapacitive charge storage
Yun, Y. S.; Kim, D.-H.; Hong, S. J.; Park, M. H.; Park, Y. W.; Kim, B. H.; Jin, H.-J.; Kang, K.
2015-09-01
We report microporous carbon nanosheets containing numerous redox active heteroatoms fabricated from exfoliated waste coffee grounds by simple heating with KOH for pseudocapacitive charge storage. We found that various heteroatom combinations in carbonaceous materials can be a redox host for lithium ion storage. The bio-inspired nanomaterials had unique characteristics, showing superior electrochemical performances as cathode for asymmetric pseudocapacitors.We report microporous carbon nanosheets containing numerous redox active heteroatoms fabricated from exfoliated waste coffee grounds by simple heating with KOH for pseudocapacitive charge storage. We found that various heteroatom combinations in carbonaceous materials can be a redox host for lithium ion storage. The bio-inspired nanomaterials had unique characteristics, showing superior electrochemical performances as cathode for asymmetric pseudocapacitors. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr04231c
15.3.6 Heterocycles with two or more different heteroatoms
Rowlands, C. C.; Farley, R. D.
This document is part of Subvolume E1 `Phosphorus-Centered Radicals, Radicals Centered on Other Heteroatoms, Organic Radical Ions' of Volume 26 `Magnetic Properties of Free Radicals' of Landolt-Börnstein Group II `Molecules and Radicals'.
Heteroatomic deltahedral zintl ions of group 14 and their alkenylation.
Gillett-Kunnath, Miriam M; Petrov, Ivaylo; Sevov, Slavi C
2010-01-18
Reported is the synthesis of Ge(9-x)Sn(x) heteroatomic deltahedral Zintl ions and their alkenylation by reactions with alkynes. The nine-atom clusters are made either by extraction from mixed Ge/Sn precursors with nominal composition K(4)Ge(9-x)Sn(x) or by dissolution of mixtures of the corresponding binary precursors K(4)Ge(9) and K(4)Sn(9) in solvents with high dielectric constants such as DMF, DMSO, and acetonitrile. Reactions of the heteroatomic clusters with alkynes such as Me(3)SiC[triple bond]CSiMe(3), HC[triple bond]CCpr (Cpr = cyclopropyl), and HC[triple bond]CPh in ethylenediamine resulted in the following structurally characterized compounds with alkenylated heteroatomic clusters: [K-(2,2,2-crypt)](3)[GeSn(8)-CH=CH(2)].en.tol (1), triclinic, P1, a = 13.9220(3) A, b = 14.9788(3) A, and c = 21.5892(5) A, alpha = 94.2580(10) degrees , beta = 98.5210(10) degrees , and gamma = 98.4890(10) degrees , V = 4382.31(16) A(3), Z = 2; [K-(2,2,2-crypt)](4)[Ge(2)Sn(7)(CH=CH(2))(2)](2).en (2), monoclinic, P2(1)/c, a = 48.1883(15) A, b = 12.1551(4) A, and c = 21.4824(7) A, beta = 90.052(2) degrees , V = 12583.0(7) A(3), Z = 4; [K-(2,2,2-crypt)](3)[GeSn(8)-CH=CHCpr].en (3), monoclinic, P2(1)/c, a = 17.9132(9) A, b = 22.7967(11) A, and c = 21.6922(12) A, beta = 98.409(2) degrees , V = 8763.0(8) A(3), Z = 4; [K-(2,2,2-crypt)](3)[Ge(2)Sn(7)-CH=CHPh].2en (4), monoclinic, P2(1)/n, a = 13.2583(5) A, b = 47.0565(17) A, and c = 15.9978(6) A, beta = 111.536(2) degrees , V = 9284.1(6) A(3), Z = 4. The potassium countercations of the divinyl-substituted cluster in 2 were exchanged for tetrapropylammonium cations, and the resulting compound was also crystallized and structurally characterized: [Pr(4)N](4)[Ge(2)Sn(7)(CH=CH(2))(2)](2) (5), triclinic, P1, a = 11.6757(8) A, b = 18.8150(16) A, and c = 21.0608(17) A, alpha = 112.327(3) degrees , beta = 91.550(3) degrees , and gamma = 91.892(3) degrees , V = 4273.5(6) A(3), Z = 2. All clusters were also characterized in solution by
Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity
2017-01-01
Driven by the ever-increasing pace of drug discovery and the need to push the boundaries of unexplored chemical space, medicinal chemists are routinely turning to unusual strained bioisosteres such as bicyclo[1.1.1]pentane, azetidine, and cyclobutane to modify their lead compounds. Too often, however, the difficulty of installing these fragments surpasses the challenges posed even by the construction of the parent drug scaffold. This full account describes the development and application of a general strategy where spring-loaded, strained C–C and C–N bonds react with amines to allow for the “any-stage” installation of small, strained ring systems. In addition to the functionalization of small building blocks and late-stage intermediates, the methodology has been applied to bioconjugation and peptide labeling. For the first time, the stereospecific strain-release “cyclopentylation” of amines, alcohols, thiols, carboxylic acids, and other heteroatoms is introduced. This report describes the development, synthesis, scope of reaction, bioconjugation, and synthetic comparisons of four new chiral “cyclopentylation” reagents. PMID:28140573
A geometric toolbox for tetrahedral finite element partitions
Brandts, J.; Korotov, S.; Křížek, M.; Axelsson, O.; Karátson, J.
2011-01-01
In this work we present a survey of some geometric results on tetrahedral partitions and their refinements in a unified manner. They can be used for mesh generation and adaptivity in practical calculations by the finite element method (FEM), and also in theoretical finite element (FE) analysis. Spec
Open Volumetric Mesh-An Efficient Data Structure for Tetrahedral and Hexa-hedral Meshes
XIAN Chu-hua; LI Gui-qing; GAO Shu-ming
2013-01-01
This work introduces a scalable and efficient topological structure for tetrahedral and hexahedral meshes. The design of the data structure aims at maximal flexibility and high performance. It provides a high scalability by using hierarchical representa-tions of topological elements. The proposed data structure is array-based, and it is a compact representation of the half-edge data structure for volume elements and half-face data structure for volumetric meshes. This guarantees constant access time to the neighbors of the topological elements. In addition, an open-source implementation named Open Volumetric Mesh (OVM) of the pro-posed data structure is written in C++using generic programming concepts.
Is there tetrahedral Fe/sup 3 +/ in biotite
Dyar, M.D.; Burns, R.G.; Rossman, G.R.
1985-01-01
Tetrahedral Fe/sup 3 +/ has been observed in Moessbauer and optical studies of Al-deficient micas, including synthetic ferri-annites, annites from banded iron formations and phlogopites from deep-seated rocks. In such samples Si + Al < 4 (per 11 0), and 0.10-0.67 formula units of Fe/sup 3 +/ fill the tetrahedral sites in the structure. The authors also discovered several Al-rich biotites which contain small amounts of Fe/sub tet//sup 3 +/ based on their spectroscopic data. Fe/sup 3 +/ appears to be displacing some of the Al/sup 3 +/ into the octahedral site. Examination of the literature shows nine other cases of Fe/sub tet//sup 3 +/ in trioctahedral 1M micas where Si + Al > 4. Traditionally, the effects of cation substitutions on the physical properties have been considered to be dependent on the size difference between the octahedral and tetrahedral layers of the structure. Much attention has focused on the substitution of the larger Fe/sup 2 +/ for Mg/sup 2 +/ and other cations in the octahedra of relatively simple synthetic compositions. However, in the natural micas studied here high fO/sub 2/ and high proportions of Al/sup 3 +/, Fe/sup 3 +/, and Ti/sup 4 +/ in the compositions raise the issue of structural readjustments based on substitution of small cations into the structure. In our samples, the average octahedral cation size is 0.67 A. If many small octahedral cations are incorporated into the structure during biotite formation, considerable octahedral flattening and (in response) tetrahedral rotation must occur to stabilize the mica. Perhaps the high degree of tetrahedral rotation allows accommodation of the larger Fe/sub tet//sup 3 +/ instead of Al/sub tet//sup 3 +/.
Development of an extraction process for removal of heteroatoms from coal liquids. Final report
1994-04-01
The main goal of this contract was to develop an extraction process for upgrading coal liquids; and in doing so, to reduce the hydrogen requirement in downstream upgrading processes and to yield valuable byproducts. This goal was to be achieved by developing a novel carbon dioxide extraction process for heteroatom removal from coal-derived naphtha, diesel, and jet fuel. The research plan called for the optimization of three critical process variables using a statistically-designed experimental matrix. The commercial potential of the new process was to be evaluated by demonstrating quantitatively the effectiveness of heteroatom removal from three different feedstocks and by conducting a comparative economic analysis of alternate heteroatom removal technologies. Accomplishments are described for the following tasks: food procurement and analysis process variable screening studies; and process assessment.
Conboy, Gary
2016-04-26
We consider the roles of heteroatoms (mainly nitrogen, the halogens and the chalcogens) in dictating the conformation of linear conjugated molecules and polymers through non-covalent intramolecular interactions. Whilst hydrogen bonding is a competitive and sometimes more influential interaction, we provide unambiguous evidence that heteroatoms are able to determine the conformation of such materials with reasonable predictability.
Motion Planning of Kinematically Redundant 12-tetrahedral Rolling Robot
Xingbo Wang
2016-02-01
Full Text Available The 12-tetrahedral robot is an addressable reconfigurable technology (ART-based variable geometry truss mechanism with 26 extensible struts and nine nodes arranged in a tetrahedral mesh. The robot has the capability of configuring its shape to adapt to environmental requirements, which makes it suitable for space exploration. This paper considers the motion planning problem for the robot in terms of gait planning and trajectory planning. First, a gait planning method is developed that limits the forward falling angles to only 25 degrees. Then, according to the given gait, the jerk-bounded method and inverse kinematics are utilized to calculate the trajectories of the nodes and the struts, respectively. A robot system model was built in ADAMS and simulations were conducted to demonstrate the feasibility of the motion planning method.
A computational study of nodal-based tetrahedral element behavior.
Gullerud, Arne S.
2010-09-01
This report explores the behavior of nodal-based tetrahedral elements on six sample problems, and compares their solution to that of a corresponding hexahedral mesh. The problems demonstrate that while certain aspects of the solution field for the nodal-based tetrahedrons provide good quality results, the pressure field tends to be of poor quality. Results appear to be strongly affected by the connectivity of the tetrahedral elements. Simulations that rely on the pressure field, such as those which use material models that are dependent on the pressure (e.g. equation-of-state models), can generate erroneous results. Remeshing can also be strongly affected by these issues. The nodal-based test elements as they currently stand need to be used with caution to ensure that their numerical deficiencies do not adversely affect critical values of interest.
Quality Tetrahedral Mesh Smoothing via Boundary-Optimized Delaunay Triangulation.
Gao, Zhanheng; Yu, Zeyun; Holst, Michael
2012-12-01
Despite its great success in improving the quality of a tetrahedral mesh, the original optimal Delaunay triangulation (ODT) is designed to move only inner vertices and thus cannot handle input meshes containing "bad" triangles on boundaries. In the current work, we present an integrated approach called boundary-optimized Delaunay triangulation (B-ODT) to smooth (improve) a tetrahedral mesh. In our method, both inner and boundary vertices are repositioned by analytically minimizing the error between a paraboloid function and its piecewise linear interpolation over the neighborhood of each vertex. In addition to the guaranteed volume-preserving property, the proposed algorithm can be readily adapted to preserve sharp features in the original mesh. A number of experiments are included to demonstrate the performance of our method.
Single-laser, one beam, tetrahedral magneto-optical trap.
Vangeleyn, Matthieu; Griffin, Paul F; Riis, Erling; Arnold, Aidan S
2009-08-03
We have realized a 4-beam pyramidal magneto-optical trap ideally suited for future microfabrication. Three mirrors split and steer a single incoming beam into a tripod of reflected beams, allowing trapping in the four-beam overlap volume. We discuss the influence of mirror angle on cooling and trapping, finding optimum efficiency in a tetrahedral configuration. We demonstrate the technique using an ex-vacuo mirror system to illustrate the previously inaccessible supra-plane pyramid MOT configuration. Unlike standard pyramidal MOTs both the pyramid apex and its mirror angle are non-critical and our MOT offers improved molasses free from atomic shadows in the laser beams. The MOT scheme naturally extends to a 2-beam refractive version with high optical access. For quantum gas experiments, the mirror system could also be used for a stable 3D tetrahedral optical lattice.
Search for Fingerprints of Tetrahedral Symmetry in $^{156}Gd$
Doan, Q T; Stezowski, O; Dudek, J; Mazurek, K; Gózdz, A; Piot, J; Duchêne, G; Gall, B; Molique, H; Richet, M; Medina, P; Guinet, D; Redon, N; Schmitt, C; Jones, P; Julin, R; Peura, P; Ketelhut, S; Nyman, M; Jakobsson, U; Maj, A; Zuber, K; Bednarczyk, P; Schunck, N; Dobaczewski, J; Astier, A; Deloncle, I; Verney, D; De Angelis, G; Gerl, J
2008-01-01
Theoretical predictions suggest the presence of tetrahedral symmetry as an explanation for the vanishing intra-band E2-transitions at the bottom of the odd-spin negative parity band in $^{156}Gd$. The present study reports on experiment performed to address this phenomenon. It allowed to determine the intra-band E2 transitions and branching ratios B(E2)/B(E1) of two of the negative-parity bands in $^{156}Gd$.
Tetrahedral gray code for visualization of genome information.
Ichinose, Natsuhiro; Yada, Tetsushi; Gotoh, Osamu
2014-01-01
We propose a tetrahedral Gray code that facilitates visualization of genome information on the surfaces of a tetrahedron, where the relative abundance of each [Formula: see text]-mer in the genomic sequence is represented by a color of the corresponding cell of a triangular lattice. For biological significance, the code is designed such that the [Formula: see text]-mers corresponding to any adjacent pair of cells differ from each other by only one nucleotide. We present a simple procedure to draw such a pattern on the development surfaces of a tetrahedron. The thus constructed tetrahedral Gray code can demonstrate evolutionary conservation and variation of the genome information of many organisms at a glance. We also apply the tetrahedral Gray code to the honey bee (Apis mellifera) genome to analyze its methylation structure. The results indicate that the honey bee genome exhibits CpG overrepresentation in spite of its methylation ability and that two conserved motifs, CTCGAG and CGCGCG, in the unmethylated regions are responsible for the overrepresentation of CpG.
Tetrahedral gray code for visualization of genome information.
Natsuhiro Ichinose
Full Text Available We propose a tetrahedral Gray code that facilitates visualization of genome information on the surfaces of a tetrahedron, where the relative abundance of each [Formula: see text]-mer in the genomic sequence is represented by a color of the corresponding cell of a triangular lattice. For biological significance, the code is designed such that the [Formula: see text]-mers corresponding to any adjacent pair of cells differ from each other by only one nucleotide. We present a simple procedure to draw such a pattern on the development surfaces of a tetrahedron. The thus constructed tetrahedral Gray code can demonstrate evolutionary conservation and variation of the genome information of many organisms at a glance. We also apply the tetrahedral Gray code to the honey bee (Apis mellifera genome to analyze its methylation structure. The results indicate that the honey bee genome exhibits CpG overrepresentation in spite of its methylation ability and that two conserved motifs, CTCGAG and CGCGCG, in the unmethylated regions are responsible for the overrepresentation of CpG.
Profit maximization mitigates competition
Dierker, Egbert; Grodal, Birgit
1996-01-01
We consider oligopolistic markets in which the notion of shareholders' utility is well-defined and compare the Bertrand-Nash equilibria in case of utility maximization with those under the usual profit maximization hypothesis. Our main result states that profit maximization leads to less price...... competition than utility maximization. Since profit maximization tends to raise prices, it may be regarded as beneficial for the owners as a whole. Moreover, if profit maximization is a good proxy for utility maximization, then there is no need for a general equilibrium analysis that takes the distribution...... of profits among consumers fully into account and partial equilibrium analysis suffices...
Molecular Driving Forces for Z/E Isomerization Mediated by Heteroatoms : The Example Hemithioindigo
Nenov, Artur; Cordes, Thorben; Herzog, Teja T.; Zinth, Wolfgang; Vivie-Riedle, Regina de
2010-01-01
A combined experimental and theoretical investigation of photoinduced Z/E isomerizations is presented. Unsubstituted Hemithioindigo is selected as a representative minimal model to unravel the reaction mechanism in the presence of heteroatoms on an atomic level. Time-resolved spectroscopy reveals mu
Molecular Iodine-Mediated Cyclization of Tethered Heteroatom-Containing Alkenyl or Alkynyl Systems
Malose Jack Mphahlele
2009-11-01
Full Text Available Molecular iodine has established itself as a readily available and easy-to-handle electrophilic and oxidizing reagent used in various organic transformations. In this review attention is focused on the use of molecular iodine in promoting cyclization (iodocyclization and cyclodehydroiodination of tethered heteroatom-containing alkenyl or alkynyl systems.
Crossover between tetrahedral and hexagonal structures in liquid water
Chara, Osvaldo [Instituto de Fisica de Liquidos y Sistemas Biologicos (IFLYSIB), CONICET - Universidad Nacional de La Plata (Argentina); McCarthy, Andres N., E-mail: amccarthy@iflysib.unlp.edu.a [Instituto de Fisica de Liquidos y Sistemas Biologicos (IFLYSIB), CONICET - Universidad Nacional de La Plata (Argentina); Grigera, J. Raul [Instituto de Fisica de Liquidos y Sistemas Biologicos (IFLYSIB), CONICET - Universidad Nacional de La Plata (Argentina)
2011-01-17
It is widely accepted that liquid water structure is comprised of two closely interweaved components; i.e. tetrahedral (low density) and hexagonal (high density) structures. The relative amount of these components is temperature and pressure dependent. We propose an order parameter, based on the radial distribution function, that quantifies the relative structural composition at any defined temperature and pressure, thus establishing the crossover point in structural dominance. At 300 K this point lies close to 2 kbar, pressure at which water looses most of its 'anomalous' properties.
Stable Tetrahedral Aluminum Sites in Hexagonal Mesoporous Aluminosilicates
韩宇; 刘宪春; 等
2002-01-01
A unique templating approach for the synthesis of hexagonal mesoporous aluminosilicates via self-assembly of pre-formed aluminosilcate nacoclusters with the templating micella formed by cetyltrimethylammonium bromide (CTAB) is described ,The obtained materials of MAS-5 are hydrothermally stable,which is shown by X-ray diffraction (XRD) analysis,Further-more,as charaacterized by NMR technique ,MAS-5 has taable tetrahedral aluminum sites that is the major contributions to the acidity of aluminosilicate molecular sieve ,and on non-frame-work aluminium species in the saples was observed.
Practical implementation of tetrahedral mesh reconstruction in emission tomography
Boutchko, R.; Sitek, A.; Gullberg, G. T.
2013-05-01
This paper presents a practical implementation of image reconstruction on tetrahedral meshes optimized for emission computed tomography with parallel beam geometry. Tetrahedral mesh built on a point cloud is a convenient image representation method, intrinsically three-dimensional and with a multi-level resolution property. Image intensities are defined at the mesh nodes and linearly interpolated inside each tetrahedron. For the given mesh geometry, the intensities can be computed directly from tomographic projections using iterative reconstruction algorithms with a system matrix calculated using an exact analytical formula. The mesh geometry is optimized for a specific patient using a two stage process. First, a noisy image is reconstructed on a finely-spaced uniform cloud. Then, the geometry of the representation is adaptively transformed through boundary-preserving node motion and elimination. Nodes are removed in constant intensity regions, merged along the boundaries, and moved in the direction of the mean local intensity gradient in order to provide higher node density in the boundary regions. Attenuation correction and detector geometric response are included in the system matrix. Once the mesh geometry is optimized, it is used to generate the final system matrix for ML-EM reconstruction of node intensities and for visualization of the reconstructed images. In dynamic PET or SPECT imaging, the system matrix generation procedure is performed using a quasi-static sinogram, generated by summing projection data from multiple time frames. This system matrix is then used to reconstruct the individual time frame projections. Performance of the new method is evaluated by reconstructing simulated projections of the NCAT phantom and the method is then applied to dynamic SPECT phantom and patient studies and to a dynamic microPET rat study. Tetrahedral mesh-based images are compared to the standard voxel-based reconstruction for both high and low signal-to-noise ratio
Search for Fingerprints of Tetrahedral Symmetry in ^{156}Gd
Doan, Q. T. [Universite Lyon 1, Villeurbanne, France; Curien, D. [CNRS, Strasbourg, France; Stezowski, O. [Universite Lyon 1, Villeurbanne, France; Dudek, J. [CNRS, Strasbourg, France; Mazurek, K. [H. Niewodniczanski Institute of Nuclear Physics (INP), Krakow, Poland; Gozdz, A. [Maria Curie-Sklodowskiej, Lublin, Poland; Piot, J. [CNRS, Strasbourg, France; Duchene, G. [CNRS, Strasbourg, France; Gall, B. [CNRS, Strasbourg, France; Molique, H. [CNRS, Strasbourg, France; Richet, M. [CNRS, Strasbourg, France; Guinet, D. [Universite Lyon 1, Villeurbanne, France; Redon, N. [Universite Lyon 1, Villeurbanne, France; Schmitt, Ch. [Universite Lyon 1, Villeurbanne, France; Jones, P. [University of Jyvaskyla; Peura, P. [University of Jyvaskyla; Ketelhut, S. [University of Jyvaskyla; Nyman, M. [University of Jyvaskyla; Jakobsson, U. [University of Jyvaskyla; Greenlees, P. T. [University of Jyvaskyla; Julin, R. [University of Jyvaskyla; Juutinen, S. [University of Jyvaskyla; Rahkila, P. [University of Jyvaskyla; Maj, A. [H. Niewodniczanski Institute of Nuclear Physics (INP), Krakow, Poland; Zuber, K. [H. Niewodniczanski Institute of Nuclear Physics (INP), Krakow, Poland; Bednarczyk, P. [H. Niewodniczanski Institute of Nuclear Physics (INP), Krakow, Poland; Schunck, N. [Oak Ridge National Laboratory (ORNL); Dobaczewski, J. [Warsaw University; Astier, A. [CNRS, Orsay, France; Deloncle, I. [CNRS, Orsay, France; Verney, D. [CNRS/IN2P3, Orsay, France; De Angelis, G. [INFN, Laboratori Nazionali di Legnaro, Italy; Gerl, J. [Gesellschaft fur Schwerionenforschung (GSI), Germany
2009-01-01
Theoretical predictions suggest the presence of tetrahedral symmetry as an explanation for the vanishing intra-band E2 transitions at the bottom of the odd-spin negative-parity band in ^{156}Gd. The present study reports on experiment performed to address this phenomenon. It allowed to remove certain ambiguities related to the intra-band E2 transitions in the negative-parity bands to determine the new inter-band transitions and reduced probability ratios B(E2)/B(E1) and, for the first time, to determine the experimental uncertainties related to the latter observable.
Stable Tetrahedral Aluminum Sites in Hexagonal Mesoporous Aluminosilicates
HAN,Yu(韩宇); YU,Yi(于沂); XU,Xian-Zhu(许宪祝); XIAO,Feng-Shou(肖丰收); LIU,Xian-Chun(刘宪春); HAN,Xiu-Wen(韩秀文); BAO,Xin-He(包信和)
2002-01-01
A unique templating approach for the synthesis of hexagonal mesoporous aluminosilicates via self-assembly of pre-formed aluminosilcate nanoclusters with the templating micella formed by cetyltrimethylammonium bromide (CTAB) is described.The obtained materials of MAS-5 are hydrothermally stable,which is shown by X-ray diffraction (XRD) analysis. Furthermore, as characterized by NMR technique, MAS-5 has stable tetrahedral aluminum sites that is the major contributions to the acidity of aluminosilicate molecular sieve, and on non-framework aluminium species in the samples was observed.
SHAPE OF POLYMER CHAINS ON A TETRAHEDRAL LATTICE
Jian-hua Huang; Me+ng-bo Luo; Wen-hua Jiang; Shi-jun Han
2000-01-01
The shape of unperturbed polymer chains was studied using the Monte Carlo technique on a tetrahedral lattice.The asphericity A, the ratios / and / were calculated for different values of polymer chain length n,conformational energy ε (ε≥ 0) and temperature T. The asphericity A decreases with the increase of chain length and tends to reach its limiting value rapidly with the decrease of γ (γ = ε/kBT). For large n, A is about 0.525 ± 0.005, the ratios/ and / are about 2.7 and 12.0, respectively, and are almost independent of γ, but for short chains, they depend on γ.
Maximally incompatible quantum observables
Heinosaari, Teiko, E-mail: teiko.heinosaari@utu.fi [Turku Centre for Quantum Physics, Department of Physics and Astronomy, University of Turku, FI-20014 Turku (Finland); Schultz, Jussi, E-mail: jussi.schultz@gmail.com [Dipartimento di Matematica, Politecnico di Milano, Piazza Leonardo da Vinci 32, I-20133 Milano (Italy); Toigo, Alessandro, E-mail: alessandro.toigo@polimi.it [Dipartimento di Matematica, Politecnico di Milano, Piazza Leonardo da Vinci 32, I-20133 Milano (Italy); Istituto Nazionale di Fisica Nucleare, Sezione di Milano, Via Celoria 16, I-20133 Milano (Italy); Ziman, Mario, E-mail: ziman@savba.sk [RCQI, Institute of Physics, Slovak Academy of Sciences, Dúbravská cesta 9, 84511 Bratislava (Slovakia); Faculty of Informatics, Masaryk University, Botanická 68a, 60200 Brno (Czech Republic)
2014-05-01
The existence of maximally incompatible quantum observables in the sense of a minimal joint measurability region is investigated. Employing the universal quantum cloning device it is argued that only infinite dimensional quantum systems can accommodate maximal incompatibility. It is then shown that two of the most common pairs of complementary observables (position and momentum; number and phase) are maximally incompatible.
Biryukov, V. A.; Muratov, M. V.; Petrov, I. B.; Sannikov, A. V.; Favorskaya, A. V.
2015-10-01
Seismic responses from fractured geological layers are mathematically simulated by applying the grid-characteristic method on unstructured tetrahedral meshes with the use of high-performance computer systems. The method is intended for computing complicated spatial dynamical processes in complex heterogeneous media and is characterized by exact formulation of contact conditions. As a result, it can be applied to the simulation of seismic exploration problems, including in regions with a large number of inhomogeneities, examples of which are fractured structures. The use of unstructured tetrahedral meshes makes it possible to specify geological cracks of various shapes and spatial orientations. As a result, problems are solved in a formulation maximally close to an actual situation. A cluster of computers is used to improve the accuracy of the computation by optimizing its duration.
The formation of carbon–carbon and carbon–heteroatom bo
Matthew Chilaka Achilonu
2016-11-01
Full Text Available Silver tetrafluoroborate (AgBF4 is a transition metal salt extensively used in organic syntheses. This review provides insight into the use of the silver salt as a promoter in the synthesis of compounds via the formation of carbon–carbon and carbon–heteroatom bonds. We summarised articles where AgBF4 plays an important role in the activation of coupling sites. These include the elimination of oxygen and sulphur leaving groups, hydride abstraction, halide abstraction and participation in stereo-selective and regio-specific halogenation reactions. AgBF4-mediation in heterocyclisation reactions, ring-opening and successive cyclisation reactions were also reviewed. The uses of the AgBF4 in the heteroatom–heteroatom bond-forming reaction and in the formation of complexes are beyond the scope of this review and were therefore not considered.
The adiabatic electron affinities (EAs) for the heteroatomic molecule SO 4: An MP2/CBS study
Zheng, Wenxu; Lau, Kai-Chung; Wong, Ning-Bew; Li, Wai-Kee
2009-01-01
An MP2/CBS approach has been proposed to calculate the adiabatic electron affinities (EAs) for the heteroatomic molecule SO 4. The method involves the approximation to the complete basis set (CBS) limit at the MP2 level. The zero-point vibrational energy correction, the diagonal Born-Oppenheimer correction, and the scalar relativistic effect correction have been also made in the calculations. The present MP2/CBS predictions are found to be in good accord with the available experimental values.
Effect of Heteroatom Concentration in SSZ-13 on the Methanol-to-Olefins Reaction
Deimund, Mark A.; Harrison, Luke; Lunn, Jonathan D.; Liu, Yu; Malek, Andrzej; Shayib, Ramzy; Davis, Mark E.
2016-01-01
SSZ-13 materials have been synthesized with varying amounts of Al to produce samples with different concentrations of Brønsted acid sites, and consequently, these SSZ-13 materials contain increasing numbers of paired Al heteroatoms with increasing Al content. These materials were then characterized and tested as catalysts for the methanol-to-olefins (MTO) reaction at 400 °C and 100% methanol conversion under atmospheric pressure. A SAPO-34 sample was also synthesized and tested for comparison...
A radiative model of quark masses with binary tetrahedral symmetry
Natale, Alexander
2017-01-01
A radiative model of quark and lepton masses utilizing the binary tetrahedral (T‧) flavor symmetry, or horizontal symmetry, is proposed which produces the first two generation of quark masses through their interactions with vector-like quarks that carry charges under an additional U (1). By softly-breaking the T‧ to a residual Z4 through the vector-like quark masses, a CKM mixing angle close to the Cabibbo angle is produced. In order to generate the cobimaximal neutrino oscillation pattern (θ13 ≠ 0 ,θ23 = π / 4 ,δCP = ± π / 2) and protect the horizontal symmetry from arbitrary corrections in the lepton sector, there are automatically two stabilizing symmetries in the dark sector. Several benchmark cases where the correct relic density is achieved in a multi-component DM scenario, as well as the potential collider signatures of the vector-like quarks are discussed.
Nuclear tetrahedral symmetry: possibly present throughout the periodic table.
Dudek, J; Goźdź, A; Schunck, N; Miśkiewicz, M
2002-06-24
More than half a century after the fundamental, spherical shell structure in nuclei had been established, theoretical predictions indicated that the shell gaps comparable or even stronger than those at spherical shapes may exist. Group-theoretical analysis supported by realistic mean-field calculations indicate that the corresponding nuclei are characterized by the TD(d) ("double-tetrahedral") symmetry group. Strong shell-gap structure is enhanced by the existence of the four-dimensional irreducible representations of TD(d); it can be seen as a geometrical effect that does not depend on a particular realization of the mean field. Possibilities of discovering the TD(d) symmetry in experiment are discussed.
Mechanical dissipation at elevated temperatures in tetrahedral amorphous carbon.
Sullivan, John P.; Friedmann, Thomas Aquinas; Czaplewski, David A.; Wendt, Joel Robert
2005-05-01
We have measured the temperature dependence of mechanical dissipation in tetrahedral amorphous carbon flexural and torsional resonators over the temperature range from 300 to 1023 K. The mechanical dissipation was found to be controlled by defects within the material, and the magnitude and temperature dependence of the dissipation were found to depend on whether flexural or torsional vibrational modes were excited. The defects that were active under flexural stresses have a relatively flat concentration from 0.4 to 0.7 eV with an ever increasing defect concentration up to 1.9 eV. Under shear stresses (torsion), the defect activation energies increase immediately beginning at 0.4 eV, with increasing defect concentration at higher energies.
Optimal tetrahedral mesh generation for three-dimensional point set
秦开怀; 吴边; 关右江; 葛振州
1997-01-01
Three-dimensional (3D) tnangulation is a basic topic in computer graphics. It is considered very difficult to obtain the global optimal 3D triangulatlon, such as the triangulation which satisfies the max-min solid angle criterion A new method called genetic tetrahedral mesh generation algorithm (GTMGA for short) is presented. GT-MGA is based on the principle of genetic algorithm and aims at the global optimal triangulation. With a multi-objective fitness function, GTMGA is able to perform optimizations for different requirements. New crossover operator and mutation operator, polyhedron crossover and polyhedron mutation, are used in GTMGA. It is shown by the experimental results that GTMGA works better than both the 3D Delaunay triangulation and the algorithm based on local transformations.
Photoconductive detection of tetrahedrally coordinated hydrogen in ZnO.
Koch, S G; Lavrov, E V; Weber, J
2012-04-20
In this Letter we apply an innovative experimental approach, which allows us to improve the sensitivity of detecting local vibrational modes (LVMs) even in highly absorbing spectral regions. This photoconductive technique allowed us to confirm a recent suggestion of a new multicenter bond for hydrogen in ZnO [A. Janotti and C. G. Van de Walle, Nature Mater. 6, 44 (2007)]. The two LVMs of the hydrogen substituting oxygen in ZnO are identified at 742 and 792 cm(-1). The modes belong to a nondegenerated A(1) and a twofold degenerated E representations of the C(3v) point group. The tetrahedral coordination of the hydrogen atom is the result of a newly detected multicenter bond for defects in solids.
Parker, Andrew M.; Wandi Bruine de Bruin; Baruch Fischhoff
2007-01-01
Our previous research suggests that people reporting a stronger desire to maximize obtain worse life outcomes (Bruine de Bruin et al., 2007). Here, we examine whether this finding may be explained by the decision-making styles of self-reported maximizers. Expanding on Schwartz et al. (2002), we find that self-reported maximizers are more likely to show problematic decision-making styles, as evidenced by self-reports of less behavioral coping, greater dependence on others when making decisions...
UNIFORM SUPERAPPROXIMATION OF THE DERIVATIVE OF TETRAHEDRAL QUADRATIC FINITE ELEMENT APPROXIMATION
Jing-hong Liu; Qi-ding Zhu
2005-01-01
In this paper,we will prove the derivative of tetrahedral quadratic finite element approximation is superapproximate to the derivative of the quadratic Lagrange interpolant of the exact solution in the L∞-norm, which can be used to enhance the accuracy of the derivative of tetrahedral quadratic finite element approximation to the derivative of the exact solution.
An 8-node tetrahedral finite element suitable for explicit transient dynamic simulations
Key, S.W.; Heinstein, M.W.; Stone, C.M. [Sandia National Labs., Albuquerque, NM (United States)
1997-12-31
Considerable effort has been expended in perfecting the algorithmic properties of 8-node hexahedral finite elements. Today the element is well understood and performs exceptionally well when used in modeling three-dimensional explicit transient dynamic events. However, the automatic generation of all-hexahedral meshes remains an elusive achievement. The alternative of automatic generation for all-tetrahedral finite element is a notoriously poor performer, and the 10-node quadratic tetrahedral finite element while a better performer numerically is computationally expensive. To use the all-tetrahedral mesh generation extant today, the authors have explored the creation of a quality 8-node tetrahedral finite element (a four-node tetrahedral finite element enriched with four midface nodal points). The derivation of the element`s gradient operator, studies in obtaining a suitable mass lumping and the element`s performance in applications are presented. In particular, they examine the 80node tetrahedral finite element`s behavior in longitudinal plane wave propagation, in transverse cylindrical wave propagation, and in simulating Taylor bar impacts. The element only samples constant strain states and, therefore, has 12 hourglass modes. In this regard, it bears similarities to the 8-node, mean-quadrature hexahedral finite element. Given automatic all-tetrahedral meshing, the 8-node, constant-strain tetrahedral finite element is a suitable replacement for the 8-node hexahedral finite element and handbuilt meshes.
Why Is the Tetrahedral Bond Angle 109 Degrees? The Tetrahedron-in-a-Cube
Lim, Kieran F.
2012-01-01
The common question of why the tetrahedral angle is 109.471 degrees can be answered using a tetrahedron-in-a-cube, along with some Year 10 level mathematics. The tetrahedron-in-a-cube can also be used to demonstrate the non-polarity of tetrahedral molecules, the relationship between different types of lattice structures, and to demonstrate that…
Dohrmann, C.R.; Heinstein, M.W.; Jung, J.; Key, S.W.
1999-01-01
This report documents a collection of papers on a family of uniform strain tetrahedral finite elements and their connection to different element types. Also included in the report are two papers which address the general problem of connecting dissimilar meshes in two and three dimensions. Much of the work presented here was motivated by the development of the tetrahedral element described in the report "A Suitable Low-Order, Eight-Node Tetrahedral Finite Element For Solids," by S. W. Key {ital et al.}, SAND98-0756, March 1998. Two basic issues addressed by the papers are: (1) the performance of alternative tetrahedral elements with uniform strain and enhanced uniform strain formulations, and (2) the proper connection of tetrahedral and other element types when two meshes are "tied" together to represent a single continuous domain.
Ming Yi WANG; Guo ZHAO
2005-01-01
A right R-module E over a ring R is said to be maximally injective in case for any maximal right ideal m of R, every R-homomorphism f : m → E can be extended to an R-homomorphism f' : R → E. In this paper, we first construct an example to show that maximal injectivity is a proper generalization of injectivity. Then we prove that any right R-module over a left perfect ring R is maximally injective if and only if it is injective. We also give a partial affirmative answer to Faith's conjecture by further investigating the property of maximally injective rings. Finally, we get an approximation to Faith's conjecture, which asserts that every injective right R-module over any left perfect right self-injective ring R is the injective hull of a projective submodule.
Andrew M. Parker
2007-12-01
Full Text Available Our previous research suggests that people reporting a stronger desire to maximize obtain worse life outcomes (Bruine de Bruin et al., 2007. Here, we examine whether this finding may be explained by the decision-making styles of self-reported maximizers. Expanding on Schwartz et al. (2002, we find that self-reported maximizers are more likely to show problematic decision-making styles, as evidenced by self-reports of less behavioral coping, greater dependence on others when making decisions, more avoidance of decision making, and greater tendency to experience regret. Contrary to predictions, self-reported maximizers were more likely to report spontaneous decision making. However, the relationship between self-reported maximizing and worse life outcomes is largely unaffected by controls for measures of other decision-making styles, decision-making competence, and demographic variables.
Brüstle, Thomas; Pérotin, Matthieu
2012-01-01
Maximal green sequences are particular sequences of quiver mutations which were introduced by Keller in the context of quantum dilogarithm identities and independently by Cecotti-Cordova-Vafa in the context of supersymmetric gauge theory. Our aim is to initiate a systematic study of these sequences from a combinatorial point of view. Interpreting maximal green sequences as paths in various natural posets arising in representation theory, we prove the finiteness of the number of maximal green sequences for cluster finite quivers, affine quivers and acyclic quivers with at most three vertices. We also give results concerning the possible numbers and lengths of these maximal green sequences. Finally we describe an algorithm for computing maximal green sequences for arbitrary valued quivers which we used to obtain numerous explicit examples that we present.
Connectivity, dynamics, and structure in a tetrahedral network liquid.
Roldán-Vargas, Sándalo; Rovigatti, Lorenzo; Sciortino, Francesco
2017-01-04
We report a detailed computational study by Brownian dynamics simulations of the structure and dynamics of a liquid of patchy particles which forms an amorphous tetrahedral network upon decreasing the temperature. The highly directional particle interactions allow us to investigate the system connectivity by discriminating the total set of particles into different populations according to a penta-modal distribution of bonds per particle. With this methodology we show how the particle bonding process is not randomly independent but it manifests clear bond correlations at low temperatures. We further explore the dynamics of the system in real space and establish a clear relation between particle mobility and particle connectivity. In particular, we provide evidence of anomalous diffusion at low temperatures and reveal how the dynamics is affected by the short-time hopping motion of the weakly bounded particles. Finally we widely investigate the dynamics and structure of the system in Fourier space and identify two quantitatively similar length scales, one dynamic and the other static, which increase upon cooling the system and reach distances of the order of few particle diameters. We summarize our findings in a qualitative picture where the low temperature regime of the viscoelastic liquid is understood in terms of an evolving network of long time metastable cooperative domains of particles.
Tetrahedral Arrangements of Perylene Bisimide Columns via Supramolecular Orientational Memory.
Sahoo, Dipankar; Peterca, Mihai; Aqad, Emad; Partridge, Benjamin E; Heiney, Paul A; Graf, Robert; Spiess, Hans W; Zeng, Xiangbing; Percec, Virgil
2017-01-24
Chiral, shape, and liquid crystalline memory effects are well-known to produce commercial macroscopic materials with important applications as springs, sensors, displays, and memory devices. A supramolecular orientational memory effect that provides complex nanoscale arrangements was only recently reported. This supramolecular orientational memory was demonstrated to preserve the molecular orientation and packing within supramolecular units of a self-assembling cyclotriveratrylene crown at the nanoscale upon transition between its columnar hexagonal and Pm3̅n cubic periodic arrays. Here we report the discovery of supramolecular orientational memory in a dendronized perylene bisimide (G2-PBI) that self-assembles into tetrameric crowns and subsequently self-organizes into supramolecular columns and spheres. This supramolecular orientation memory upon transition between columnar hexagonal and body-centered cubic (BCC) mesophases preserves the 3-fold cubic [111] orientations rather than the 4-fold [100] axes, generating an unusual tetrahedral arrangement of supramolecular columns. These results indicate that the supramolecular orientational memory concept may be general for periodic arrays of self-assembling dendrons and dendrimers as well as for other periodic and quasiperiodic nanoscale organizations comprising supramolecular spheres, generated from other organized complex soft matter including block copolymers and surfactants.
Masahide Yasuda
2014-05-01
Full Text Available Photocatalytic H2 evolution was examined using Pt-loaded TiO2-photocatalyst in the presence of amines as sacrificial agents. In the case of amines with all of the carbon attached to the hetero-atom such as 2-aminoethanol, 1,2-diamonoethane, 2-amino-1,3-propanediol, and 3-amino-1,2-propanediol, they were completely decomposed into CO2 and water to quantitatively evolve H2. On the other hand, the amines with both hetero-atoms and one methyl group at the β-positions (neighboring carbons of amino group such as 2-amino-1-propanol and 1,2-diaminopropane were partially decomposed. Also, the photocatalytic H2 evolution using amines without the hetero-atoms at the β-positions such as ethylamine, propylamine, 1-butylamine, 1,3-diaminopropane, 2-propylamine, and 2-butylamine was inefficient. Thus, it was found that the neighboring hetero-atom strongly assisted the degradation of sacrificial amines. Moreover, rate constants for H2 evolution were compared among amines. In conclusion, the neighboring hetero-atom did not affect the rate constants but enhanced the yield of hydrogen evolution.
A suitable low-order, eight-node tetrahedral finite element for solids
Key, S.W.; Heinstein, M.S.; Stone, C.M.; Mello, F.J.; Blanford, M.L.; Budge, K.G.
1998-03-01
To use the all-tetrahedral mesh generation existing today, the authors have explored the creation of a computationally efficient eight-node tetrahedral finite element (a four-node tetrahedral finite element enriched with four mid-face nodal points). The derivation of the element`s gradient operator, studies in obtaining a suitable mass lumping, and the element`s performance in applications are presented. In particular they examine the eight-node tetrahedral finite element`s behavior in longitudinal plane wave propagation, in transverse cylindrical wave propagation, and in simulating Taylor bar impacts. The element samples only constant strain states and, therefore, has 12 hour-glass modes. In this regard it bears similarities to the eight-node, mean-quadrature hexahedral finite element. Comparisons with the results obtained from the mean-quadrature eight-node hexahedral finite element and the four-node tetrahedral finite element are included. Given automatic all-tetrahedral meshing, the eight-node, constant-strain tetrahedral finite element is a suitable replacement for the eight-node hexahedral finite element in those cases where mesh generation requires an inordinate amount of user intervention and direction to obtain acceptable mesh properties.
Lu, Yu; Zhu, Nengwu; Yin, Fuhua; Yang, Tingting; Wu, Pingxiao; Dang, Zhi; Liu, Meilin; Wei, Xiaorong
2017-12-15
Currently, the development of less expensive, more active and more stable catalysts like heteroatom-doped carbon based non-precious metal materials are highly desired for the cathodic oxygen reduction reaction (ORR) in microbial fuel cells (MFCs). Comparing with heteroatom sources from chemical reagents, biomass is notably inexpensive and abundant, containing more elements which contribute to ORR activity. Herein, we demonstrate an easy operating one-step and low-cost way to synthesize egg-derived heteroatoms-doped mesoporous carbon (EGC) catalysts utilizing egg as the biomass carbon and other elements source (sulphur, phosphorus, boron and iron), and porous g-C3N4 as both template and nitrogen source. After carbonized, such hybrid materials possess an outstanding electrocatalytic activity towards ORR comparable to the commercial Pt/C catalyst in neutral media. Electrochemical detections as cyclic voltammogram and rotating ring-disk electrode tests show that the potential of oxygen reduction peak of EGC1-10-2 is at + 0.10V, onset potential is at + 0.257V (vs. Ag/AgCl) and electron transfer number of that is 3.84-3.92, which indicate that EGC1-10-2 via a four-electron pathway. Reactor operation shows that the maximum power density of MFC-EGC1-10-2 (737.1mWm(-2)), which is slightly higher than MFC-Pt/C (20%) (704mWm(-2)). The low cost (0.049 $g(-1)), high yield (20.26%) and high performance of EGC1-10-2 provide a promising alternative to noble metal catalysts by using abundant natural biological resources, which contribute a lot to expansion and commercialization of MFCs. Copyright © 2017 Elsevier B.V. All rights reserved.
Schouler, Marie-Claude; Chamssedine, Fadel; Claves, Daniel
2011-03-01
Chemistry in confined conditions is explored at the level of the interlayer space of multiwall carbon nanotubes. Starting from preliminary intercalated tubes, a ligand exchange reaction has been successfully conducted within the former Van der Waals gap, resulting in a final dispersion of heteroatomic particles, around 2 nm large and nearly homogeneous in size, on the outer surface of the tubes. Intercalated tubular carbon architectures thus prove to be interesting templates for a bottom-up preparation of chemically complex supported nanoparticles, with potential activities for versatile applications.
Rudiger Bubner
1998-12-01
Full Text Available Even though the maxims' theory is not at thecenter of Kant's ethics, it is the unavoidable basis of the categoric imperative's formulation. Kant leanson the transmitted representations of modem moral theory. During the last decades, the notion of maxims has deserved more attention, due to the philosophy of language's debates on rules, and due to action theory's interest in this notion. I here by brietly expound my views in these discussions.
Dynamical Instability Causes the Demise of a Supercooled Tetrahedral Liquid
Gautam, Arvind Kumar; Pingua, Nandlal; Goyal, Aashish; Apte, Pankaj A.
2017-09-01
We investigate the relaxation mechanism of a supercooled tetrahedral liquid at its limit of stability using isothermal isobaric ( NPT) Monte Carlo simulations. In similarity with systems which are far from equilibrium but near the onset of jamming (O'Hern et al. in Phys Rev Lett 93:165702, 2004), we find that the relaxation is characterized by two time-scales: the decay of long-wavelength (slow) fluctuations of potential energy is controlled by the slope [partial (G/N)/partial φ ] of the Gibbs free energy ( G) at a unique value of per particle potential energy φ = φ _{{\\tiny mid}}. The short-wavelength (fast) fluctuations are controlled by the bath temperature T. The relaxation of the supercooled liquid is initiated with a dynamical crossover after which the potential energy fluctuations are biased towards values progressively lesser than φ _{{\\tiny mid}}. The dynamical crossover leads to the change of time-scale, i.e., the decay of long-wavelength potential energy fluctuations (intermediate stage of relaxation). Because of the condition [partial ^2 (G/N)/partial φ ^2 = 0] at φ = φ _{{\\tiny mid}}, the slope [partial (G/N)/partial φ ] has a unique value and governs the intermediate stage of relaxation, which ends just after the crossover. In the subsequent stage, there is a relatively rapid crystallization due to lack of long-wavelength fluctuations and the instability at φ _{{\\tiny mid}}, i.e., the condition that G decreases as configurations with potential energies lower than φ _{{\\tiny mid}} are accessed. The dynamical crossover point and the associated change in the time-scale of fluctuations is found to be consistent with the previous studies.
Chen, Ming; Sun, Ning; Xu, Wei; Zhao, Jidong; Wang, Gaonan; Liu, Yuanhong
2015-12-14
A mild and efficient gold-catalyzed oxidative ring-expansion of a series of alkynyl heterocycles using pyridine-N-oxide as the oxidant has been developed, which affords highly valuable six- or seven-membered heterocycles with wide functional group toleration. The reaction consists of a regioselective oxidation and a chemoselective migration of an endocyclic carbon-heteroatom bond (favored over C-H migration) with the order of migratory aptitude for carbon-heteroatom bonds being C-S>C-N>C-O. In the absence of an oxidant, polycyclic products are readily constructed through a ring-expansion/Nazarov cyclization reaction sequence.
Xin Yi ZHU; Wei Qiang ZHANG; Yu Hua ZHANG; Li Ren CHEN; Yong Min LI
2003-01-01
A series of novel chiral tetrahedral heterometal clusters have firstly been separated oncellulose tris-(3,5-dimethylphenylcarbamate) stationary phase by high performance liquid chrom-atography, using hexane as the mobile phase with various alcohols as modifiers.
Heteroatom Doped-Carbon Nanospheres as Anodes in Lithium Ion Batteries
George S. Pappas
2016-01-01
Full Text Available Long cycle performance is a crucial requirement in energy storage devices. New formulations and/or improvement of “conventional” materials have been investigated in order to achieve this target. Here we explore the performance of a novel type of carbon nanospheres (CNSs with three heteroatom co-doped (nitrogen, phosphorous and sulfur and high specific surface area as anode materials for lithium ion batteries. The CNSs were obtained from carbonization of highly-crosslinked organo (phosphazene nanospheres (OPZs of 300 nm diameter. The OPZs were synthesized via a single and facile step of polycondensation reaction between hexachlorocyclotriphosphazene (HCCP and 4,4′-sulphonyldiphenol (BPS. The X-ray Photoelectron Spectroscopy (XPS analysis showed a high heteroatom-doping content in the structure of CNSs while the textural evaluation from the N2 sorption isotherms revealed the presence of micro- and mesopores and a high specific surface area of 875 m2/g. The CNSs anode showed remarkable stability and coulombic efficiency in a long charge–discharge cycling up to 1000 cycles at 1C rate, delivering about 130 mA·h·g−1. This study represents a step toward smart engineering of inexpensive materials with practical applications for energy devices.
Catalytic performance of heteroatom-modified carbon nanotubes in advanced oxidation processes
João Restivo; Raquel P. Rocha; Adrián M. T. Silva; José J. M. Órfão; Manuel F. R. Pereira; José L. Figueiredo
2014-01-01
Multi-walled carbon nanotubes (CNTs) were submitted to chemical and thermal treatments in or-der to incorporate different heteroatoms on the surface. O-, S-and N-containing groups were suc-cessfully introduced onto the CNTs without significant changes of the textural properties. The cata-lytic activity of these heteroatom-modified CNTs was studied in two liquid phase oxidation pro-cesses:catalytic ozonation and catalytic wet air oxidation (CWAO), using oxalic acid and phenol as model compounds. In both cases, the presence of strongly acidic O-containing groups was found to decrease the catalytic activity of the CNTs. On the other hand, the introduction of S species (mainly sulfonic acids) enhanced the removal rate of the model compounds, particularly in the CWAO of phenol. Additional experiments were performed with a radical scavenger and sodium persulfate, in order to clarify the reaction mechanism. Nitrogen functionalities improve the catalytic performance of the original CNTs, regardless of the process or of the pollutant.
Yoshitaka Fujimoto
2015-01-01
Full Text Available Doping with heteroatoms is one of the most effective methods to tailor the electronic properties of carbon nanomaterials such as graphene and carbon nanotubes, and such nanomaterials doped with heteroatom dopants might therefore provide not only new physical and chemical properties but also novel nanoelectronics/optoelectronics device applications. The boron and nitrogen are neighboring elements to carbon in the periodic table, and they are considered to be good dopants for carbon nanomaterials. We here review the recent work of boron and nitrogen doping effects into graphene monolayer as well as bilayer on the basis of the first-principles electronic structure calculations in the framework of the density-functional theory. We show the energetics and the electronic properties of boron and nitrogen defects in graphene monolayer and bilayer. As for the nitrogen doping, we further discuss the stabilities, the growth processes, and the electronic properties associated with the plausible nitrogen defect formation in graphene which is suggested by experimental observations.
Winans, R.E.,; Kim, Y.; Hunt, J.E.; McBeth, R.L.
1995-12-31
The objective of this study is to create a statistically accurate picture of important structural features for a group of coals representing a broad rank range. Mass spectrometric techniques are used to study coals, coal extracts and chemically modified coals and extracts. Laser desorption mass spectrometry is used to determine molecular weight distributions. Desorption chemical ionization high resolution mass spectrometry provides detailed molecular information on compound classes of molecules is obtained using tandem mass spectrometry. These results are correlated with other direct studies on these samples such as solid NMR, XPS and X-ray absorption spectroscopy. From the complex sets of data, several general trends are emerging especially for heteroatom containing species. From a statistical point of view, heteroatoms must play important roles in the reactivity of all coals. Direct characterization of sulfur containing species in the Argonne coals has been reported from XANES analysis. Indirect methods used include: TG-FTIR and HRMS which rely on thermal desorption and pyrolysis to vaporize the samples. Both XANES and XPS data on nitrogen has been reported, but at this time, the XPS information is probably more reliable. Results from HRMS are discussed in this paper. Most other information on nitrogen is limited to analysis of liquefaction products. However, nitrogen can be important in influencing characteristics of coal liquids and as a source of NO{sub x}`s in coal combustion.
Qu, Konggang; Zheng, Yao; Zhang, Xianxi; Davey, Ken; Dai, Sheng; Qiao, Shi Zhang
2017-07-25
Dual heteroatom-doped carbon materials are efficient electrocatalysts via a synergistic effect. With nitrogen as the primary dopant, boron, sulfur, and phosphorus can be used as secondary elements for co-doped carbons. However, evaluation and analysis of the promotional effect of B, P, and S to N-doped carbons has not been widely researched. Here we report a robust platform that is constructed through polydopamine to prepare N,B-, N,P-, and N,S-co-doped carbon nanosheets, characterized by similar N species content and efficient B, P, and S doping. Systematic investigation reveals S to have the greatest promotional effect in hydrogen evolution reactions (HER) followed by P and that B decreases the activity of N-doped carbons. Experimental and theoretical analyses show the secondary heteroatom promotional effect is impacted by the intrinsic structures and extrinsic surface areas of both materials, i.e., electronic structures exclusively determine the catalytic activity of active sites, while large surface areas optimize apparent HER performance.
Sodium-ion supercapacitors based on nanoporous pyroproteins containing redox-active heteroatoms
Cho, Se Youn; Yoon, Hyeon Ji; Kim, Na Rae; Yun, Young Soo; Jin, Hyoung-Joon
2016-10-01
Nanostructured carbon-based materials fabricated via simple methods from renewable bio-resources have great potential in rechargeable energy storage systems. In this study, nanoporous pyroproteins containing a large amount of redox-active heteroatoms (H-NPs) were fabricated from silk fibroin by an in situ carbonization/activation method. The H-NPs have a large surface area of ∼3050 m2 g-1, which is mainly comprised of nanometer-scale pores. Also, these H-NPs have oxygen and nitrogen heteroatoms of 17.4 wt% and 2.9 wt%, respectively. Synergistic sodium ion storage behaviors originate from electrochemical double layer capacitance and pseudocapacitance, leading to very high electrochemical performances of H-NPs in aqueous and non-aqueous electrolyte systems. Sodium-ion supercapacitors (NISs) based on commercial graphite//H-NPs show a high specific power of ∼1900 W kg-1 at ∼77 Wh kg-1. Also, NISs based on commercial hard carbon//H-NPs exhibit a high specific energy of ∼217 Wh kg-1 at ∼42 W kg-1. In addition, outstanding cycling performances over 30,000 cycles are achieved for symmetric NISs.
Guo, Zhaoyan; Ren, Guangyuan; Jiang, Congcong; Lu, Xianyong; Zhu, Ying; Jiang, Lei; Dai, Liming
2015-11-01
A novel heteroatoms (N, P, S and Fe) quaternary-doped carbon (HQDC-X, X refers to the pyrolysis temperature) can be fabricated by directly pyrolyzing a gram-negative bacteria, S. oneidensis MR-1 as precursors at 800 °C, 900 °C and 1000 °C under argon atmosphere. These HQDC-X catalysts maintain the cylindrical shape of bacteria after pyrolysis under high temperatures, while heteroatoms including N, P, S and Fe distribute homogeneously on the carbon frameworks. As a result, HQDC-X catalysts exhibit excellent electrocatalytic activity for ORR via a dominant four-electron oxygen reduction pathway in alkaline medium, which is comparable with that of commercial Pt/C. More importantly, HQDC-X catalysts show better tolerance for methanol crossover and CO poisoning effects, long-term durability than commercial Pt/C, which could be promising alternatives to costly Pt-based electrocatalysts for ORR. The method may provide a promising avenue to develop cheap ORR catalysts from inexpensive, scalable and biological recursors.
Lattice Cleaving: Conforming Tetrahedral Meshes of Multimaterial Domains with Bounded Quality.
Bronson, Jonathan R; Levine, Joshua A; Whitaker, Ross T
2013-01-01
We introduce a new algorithm for generating tetrahedral meshes that conform to physical boundaries in volumetric domains consisting of multiple materials. The proposed method allows for an arbitrary number of materials, produces high-quality tetrahedral meshes with upper and lower bounds on dihedral angles, and guarantees geometric fidelity. Moreover, the method is combinatoric so its implementation enables rapid mesh construction. These meshes are structured in a way that also allows grading, in order to reduce element counts in regions of homogeneity.
Arita, Ken-ichiro
2014-01-01
Shell structures in single-particle energy spectra are investigated against regular tetrahedral type deformation using radial power-law potential model. Employing a natural way of shape parametrization which interpolate sphere and regular tetrahedron, we find prominent shell effects at rather large tetrahedral deformations, which bring about shell energies much larger than the cases of spherical and quadrupole type shapes. We discuss the semiclassical origin of these anomalous shell structures using periodic orbit theory.
Shape effects on the random-packing density of tetrahedral particles.
Zhao, Jian; Li, Shuixiang; Jin, Weiwei; Zhou, Xuan
2012-09-01
Regular tetrahedra have been demonstrated recently giving high packing density in random configurations. However, it is unknown whether the random-packing density of tetrahedral particles with other shapes can reach an even higher value. A numerical investigation on the random packing of regular and irregular tetrahedral particles is carried out. Shape effects of rounded corner, eccentricity, and height on the packing density of tetrahedral particles are studied. Results show that altering the shape of tetrahedral particles by rounding corners and edges, by altering the height of one vertex, or by lateral displacement of one vertex above its opposite face, all individually have the effect of reducing the random-packing density. In general, the random-packing densities of irregular tetrahedral particles are lower than that of regular tetrahedra. The ideal regular tetrahedron should be the shape which has the highest random-packing density in the family of tetrahedra, or even among convex bodies. An empirical formula is proposed to describe the rounded corner effect on the packing density, and well explains the density deviation of tetrahedral particles with different roundness ratios. The particles in the simulations are verified to be randomly packed by studying the pair correlation functions, which are consistent with previous results. The spherotetrahedral particle model with the relaxation algorithm is effectively applied in the simulations.
List-mode image reconstruction for positron emission tomography using tetrahedral voxels
Gillam, John E.; Angelis, Georgios I.; Meikle, Steven R.
2016-09-01
Image space decomposition based on tetrahedral voxels are interesting candidates for use in emission tomography. Tetrahedral voxels provide many of the advantages of point clouds with irregular spacing, such as being intrinsically multi-resolution, yet they also serve as a volumetric partition of the image space and so are comparable to more standard cubic voxels. Additionally, non-rigid displacement fields can be applied to the tetrahedral mesh in a straight-forward manner. So far studies incorporating tetrahedral decomposition of the image space have concentrated on pre-calculated, node-based, system matrix elements which reduces the flexibility of the tetrahedral approach and the capacity to accurately define regions of interest. Here, a list-mode on-the-fly calculation of the system matrix elements is described using a tetrahedral decomposition of the image space and volumetric elements—voxels. The algorithm is demonstrated in the context of awake animal PET which may require both rigid and non-rigid motion compensation, as well as quantification within small regions of the brain. This approach allows accurate, event based, motion compensation including non-rigid deformations.
Tadepalli, Srinivas C; Erdemir, Ahmet; Cavanagh, Peter R
2011-08-11
Finite element analysis has been widely used in the field of foot and footwear biomechanics to determine plantar pressures as well as stresses and strains within soft tissue and footwear materials. When dealing with anatomical structures such as the foot, hexahedral mesh generation accounts for most of the model development time due to geometric complexities imposed by branching and embedded structures. Tetrahedral meshing, which can be more easily automated, has been the approach of choice to date in foot and footwear biomechanics. Here we use the nonlinear finite element program Abaqus (Simulia, Providence, RI) to examine the advantages and disadvantages of tetrahedral and hexahedral elements under compression and shear loading, material incompressibility, and frictional contact conditions, which are commonly seen in foot and footwear biomechanics. This study demonstrated that for a range of simulation conditions, hybrid hexahedral elements (Abaqus C3D8H) consistently performed well while hybrid linear tetrahedral elements (Abaqus C3D4H) performed poorly. On the other hand, enhanced quadratic tetrahedral elements with improved stress visualization (Abaqus C3D10I) performed as well as the hybrid hexahedral elements in terms of contact pressure and contact shear stress predictions. Although the enhanced quadratic tetrahedral element simulations were computationally expensive compared to hexahedral element simulations in both barefoot and footwear conditions, the enhanced quadratic tetrahedral element formulation seems to be very promising for foot and footwear applications as a result of decreased labor and expedited model development, all related to facilitated mesh generation.
Biomass feedstocks such as algae and cyanobacteria are highly sought after due to their high reproduction rates and growth densities, but their high concentrations of O and N heteroatoms are problematic for biofuels applications. The development of mild upgrading processes is necessary for producing...
Er Chang LIU; Ding Qiao YANG; Ying Feng HAN; Jian Xia DONG
2006-01-01
A rhodium-catalyzed ring opening reaction of N-Boc-azabenzonorbornadiene with heteroatom nucleophiles was described. Piperidine and piperazine's derivatives were nucleophiles in this reaction. The yields of the products 2a-f are good and the regioselectivity are excellent.
Exploring quantum interference in heteroatom-substituted graphene-like molecules
Sangtarash, Sara; Sadeghi, Hatef; Lambert, Colin J.
2016-07-01
If design principles for controlling quantum interference in single molecules could be elucidated and verified, then this will lay the foundations for exploiting such effects in nanoscale devices and thin-film materials. When the core of a graphene-like polyaromatic hydrocarbon (PAH) is weakly coupled to external electrodes by atoms i and j, the single-molecule electrical conductance σij depends on the choice of connecting atoms i,j. Furthermore, provided the Fermi energy is located between the HOMO and LUMO, conductance ratios σij/σlm corresponding to different connectivities i,j and l,m are determined by quantum interference within the PAH core. In this paper, we examine how such conductance ratios change when one of the carbon atoms within the `parent' PAH core is replaced by a heteroatom to yield a `daughter' molecule. For bipartite parental cores, in which odd-numbered sites are connected to even-numbered sites only, the effect of heteroatom substitution onto an odd-numbered site is summarized by the following qualitative rules: (a) when i and j are odd, both parent and daughter have low conductances, (b) when i is odd and j is even, or vice versa both parent and daughter have high conductances and (c) when i,j are both even, the parent has a low conductance and the daughter a high conductance. These rules are verified by comparison with density-functional calculations on naphthalene, anthracene, pyrene and anthanthrene cores connected via two different anchor groups to gold electrodes.If design principles for controlling quantum interference in single molecules could be elucidated and verified, then this will lay the foundations for exploiting such effects in nanoscale devices and thin-film materials. When the core of a graphene-like polyaromatic hydrocarbon (PAH) is weakly coupled to external electrodes by atoms i and j, the single-molecule electrical conductance σij depends on the choice of connecting atoms i,j. Furthermore, provided the Fermi energy is
Ring-opening of cis-3-Substituted-2-vinylaziridines with Heteroatom Nucleophiles
Lee, Gaeun; Shin, Miri; Kang, Hanyoung [Chungbuk National Univ., Cheongju (Korea, Republic of)
2014-03-15
The results of the ring opening reaction of N-protected-cis-2-vinyl-3-(benzyloxymethyl)aziridines as model compounds for cis-3-substituted-2-vinylaziridines with various heteroatom nucleophiles are summarized in Table 1. Methanol is a good nucleophile to provide the desired 1,2-amino-alcohol derivative as a single product in excellent yield. We analyzed briefly the effect of solvents with methanol. Although other solvents such as DMF and THF also gave the product, CH{sub 2}Cl{sub 2} was employed as a preferred solvent because of the high yield and ease of handling. All the reactions were, therefore, examined in CH{sub 2}Cl{sub 2} in the presence of BF{sub 3}·OEt{sub 2} as a Lewis acid unless mentioned otherwise. All alcohols behaved as good nucleophiles to exclusively give the desired products (entry 1-7)
Zdanowska Sandra
2016-12-01
Full Text Available This paper concentrates on electrochemical properties of groups of multi-walled carbon nanotubes (MWCNT functionalized with substituents containing a stereogenic heteroatom bonded covalently to the surface of the carbon nanotube. This system was tested in Swagelok-type cells. The cells comprised a system (functionalized CNT with salts containing S and P atoms with a working electrode, microfiber separators soaked with electrolyte solution, and a lithium foil counter/reference (commercial LiCoO2 electrode. The electrolyte solution was 1 M LiPF6 in propylene carbonate. Using standard techniques (cyclic voltammetry/chronopotentiometry, galvanostatic cycling was performed on the cells at room temperature with a CH Instruments Model 600E potentiostat/galvanostat electrochemical measurements. Methods of functionalization CNT were compared in terms of the electrochemical properties of the studied systems. In all systems, the process of charge/discharge was observed.
Verbrugghen, Thomas; Vandurm, Pierre; Pouyez, Jenny; Maes, Louis; Wouters, Johan; Van Calenbergh, Serge
2013-01-10
To explore the hitherto successful derivatization of the α-carbon of fosmidomycin, a series of new α-substituted analogues was prepared. This was done by introduction of a heteroatom (N or O) in α-position to the phosphonate and using the resultant OH and NH₂ groups as a handle for appending a variety of substituents by means of several functional groups such as ether, amide, urea, and 1,4-triazole. The synthesized molecules, as a racemic mixture, were assayed for their EcDXR inhibitory potency. Both the α-azido-analogue and the α-hydroxylated analogue proved most promising, and docking experiments were performed. Although several compounds showed high potency when assayed against Plasmodium falciparum K1 in human erythrocytes, a clear correlation between the enzyme inhibition constants and P. falciparum inhibition concentrations could not be found.
Janusz Brzozowski
2014-05-01
Full Text Available The atoms of a regular language are non-empty intersections of complemented and uncomplemented quotients of the language. Tight upper bounds on the number of atoms of a language and on the quotient complexities of atoms are known. We introduce a new class of regular languages, called the maximally atomic languages, consisting of all languages meeting these bounds. We prove the following result: If L is a regular language of quotient complexity n and G is the subgroup of permutations in the transition semigroup T of the minimal DFA of L, then L is maximally atomic if and only if G is transitive on k-subsets of 1,...,n for 0 <= k <= n and T contains a transformation of rank n-1.
Andersen, Klaus Ejner
1985-01-01
Guinea pig maximization tests (GPMT) with chlorocresol were performed to ascertain whether the sensitization rate was affected by minor changes in the Freund's complete adjuvant (FCA) emulsion used. Three types of emulsion were evaluated: the oil phase was mixed with propylene glycol, saline with...... to the saline/oil emulsion. Placing of the challenge patches affected the response, as simultaneous chlorocresol challenge on the flank located 2 cm closer to the abdomen than the usual challenge site gave decreased reactions....
Zak, Michail
2008-01-01
A report discusses an algorithm for a new kind of dynamics based on a quantum- classical hybrid-quantum-inspired maximizer. The model is represented by a modified Madelung equation in which the quantum potential is replaced by different, specially chosen 'computational' potential. As a result, the dynamics attains both quantum and classical properties: it preserves superposition and entanglement of random solutions, while allowing one to measure its state variables, using classical methods. Such optimal combination of characteristics is a perfect match for quantum-inspired computing. As an application, an algorithm for global maximum of an arbitrary integrable function is proposed. The idea of the proposed algorithm is very simple: based upon the Quantum-inspired Maximizer (QIM), introduce a positive function to be maximized as the probability density to which the solution is attracted. Then the larger value of this function will have the higher probability to appear. Special attention is paid to simulation of integer programming and NP-complete problems. It is demonstrated that the problem of global maximum of an integrable function can be found in polynomial time by using the proposed quantum- classical hybrid. The result is extended to a constrained maximum with applications to integer programming and TSP (Traveling Salesman Problem).
Ngo, Phong D; Mansoorabadi, Steven O; Frey, Perry A
2016-08-04
Peptide boronic acids and peptidyl trifluoromethyl ketones (TFKs) inhibit serine proteases by forming monoanionic, tetrahedral adducts to serine in the active sites. Investigators regard these adducts as analogs of monoanionic, tetrahedral intermediates. Density functional theory (DFT) calculations and fractional charge analysis show that tetrahedral adducts of model peptidyl TFKs are structurally and electrostatically very similar to corresponding tetrahedral intermediates. In contrast, the DFT calculations show the structures and electrostatic properties of analogous peptide boronate adducts to be significantly different. The peptide boronates display highly electrostatically positive boron, with correspondingly negative ligands in the tetrahedra. In addition, the computed boron-oxygen and boron-carbon bond lengths in peptide boronates (which are identical or very similar to the corresponding bonds in a peptide boronate adduct of α-lytic protease determined by X-ray crystallography at subangstrom resolution) are significantly longer than the corresponding bond lengths in model tetrahedral intermediates. Since protease-peptidyl TFKs incorporate low-barrier hydrogen bonds (LBHBs) between an active site histidine and aspartate, while the protease-peptide boronates do not, these data complement the spectroscopic and chemical evidence for the participation of LBHBs in catalysis by serine proteases. Moreover, while the potency of these classes of inhibitors can be correlated to the structures of the peptide moieties, the present results indicate that the strength of their bonds to serine contribute significantly to their inhibitory properties.
Implementation of tetrahedral-mesh geometry in Monte Carlo radiation transport code PHITS
Furuta, Takuya; Sato, Tatsuhiko; Han, Min Cheol; Yeom, Yeon Soo; Kim, Chan Hyeong; Brown, Justin L.; Bolch, Wesley E.
2017-06-01
A new function to treat tetrahedral-mesh geometry was implemented in the particle and heavy ion transport code systems. To accelerate the computational speed in the transport process, an original algorithm was introduced to initially prepare decomposition maps for the container box of the tetrahedral-mesh geometry. The computational performance was tested by conducting radiation transport simulations of 100 MeV protons and 1 MeV photons in a water phantom represented by tetrahedral mesh. The simulation was repeated with varying number of meshes and the required computational times were then compared with those of the conventional voxel representation. Our results show that the computational costs for each boundary crossing of the region mesh are essentially equivalent for both representations. This study suggests that the tetrahedral-mesh representation offers not only a flexible description of the transport geometry but also improvement of computational efficiency for the radiation transport. Due to the adaptability of tetrahedrons in both size and shape, dosimetrically equivalent objects can be represented by tetrahedrons with a much fewer number of meshes as compared its voxelized representation. Our study additionally included dosimetric calculations using a computational human phantom. A significant acceleration of the computational speed, about 4 times, was confirmed by the adoption of a tetrahedral mesh over the traditional voxel mesh geometry.
Dudek, Jerzy; Rouvel, David; Mazurek, Katarzyna; Shimizu, Yoshifumi; Tagami, Shingo
2014-01-01
We discuss the predictions of the large scale calculations using the realistic realisation of the phenomenological nuclear mean-field theory. Calculations indicate that certain Zirconium nuclei are tetrahedral-symmetric in their ground-states. After a short overview of the research of the nuclear tetrahedral symmetry in the past we analyse the predictive capacities of the method and focus on the $^{96}$Zr nucleus expected to be tetrahedral in its ground-state.
Social group utility maximization
Gong, Xiaowen; Yang, Lei; Zhang, Junshan
2014-01-01
This SpringerBrief explains how to leverage mobile users' social relationships to improve the interactions of mobile devices in mobile networks. It develops a social group utility maximization (SGUM) framework that captures diverse social ties of mobile users and diverse physical coupling of mobile devices. Key topics include random access control, power control, spectrum access, and location privacy.This brief also investigates SGUM-based power control game and random access control game, for which it establishes the socially-aware Nash equilibrium (SNE). It then examines the critical SGUM-b
Brandes, U; Gaertler, M; Goerke, R; Hoefer, M; Nikoloski, Z; Wagner, D
2006-01-01
Several algorithms have been proposed to compute partitions of networks into communities that score high on a graph clustering index called modularity. While publications on these algorithms typically contain experimental evaluations to emphasize the plausibility of results, none of these algorithms has been shown to actually compute optimal partitions. We here settle the unknown complexity status of modularity maximization by showing that the corresponding decision version is NP-complete in the strong sense. As a consequence, any efficient, i.e. polynomial-time, algorithm is only heuristic and yields suboptimal partitions on many instances.
On the relation between hydrogen bonds, tetrahedral order and molecular mobility in model water
Pereyra, R G; Malaspina, D C; Carignano, M A
2013-01-01
We studied by molecular dynamics simulations the relation existing between the lifetime of hydrogen bonds, the tetrahedral order and the diffusion coefficient of model water. We tested four different models: SPC/E, TIP4P-Ew, TIP5P-Ew and Six-site, these last two having sites explicitly resembling the water lone pairs. While all the models perform reasonably well at ambient conditions, their behavior is significantly different for temperatures below 270 K. The models with explicit lone-pairs have a longer hydrogen bond lifetime, a better tetrahedral order and a smaller diffusion coefficient than the models without them.
Maximizing without difficulty: A modified maximizing scale and its correlates
Linda Lai
2010-01-01
This article presents several studies that replicate and extend previous research on maximizing. A modified scale for measuring individual maximizing tendency is introduced. The scale has adequate psychometric properties and reflects maximizers' aspirations for high standards and their preference for extensive alternative search, but not the decision difficulty aspect included in several previous studies. Based on this scale, maximizing is positively correlated with optimism, need for cogniti...
Katarzyna Kolczyńska
2010-07-01
Full Text Available The HOMA (Harmonic Oscillator Model of Aromaticity index, reformulated in 1993, has been very often applied to describe π-electron delocalization for mono- and polycyclic π-electron systems. However, different measures of π-electron delocalization were employed for the CC, CX, and XY bonds, and this index seems to be inappropriate for compounds containing heteroatoms. In order to describe properly various resonance effects (σ-π hyperconjugation, n-π conjugation, π-π conjugation, and aromaticity possible for heteroatomic π-electron systems, some modifications, based on the original HOMA idea, were proposed and tested for simple DFT structures containing C, N, and O atoms. An abbreviation HOMED was used for the modified index.
Quan, Bo; Yu, Seung-Ho; Chung, Dong Young; Jin, Aihua; Park, Ji Hyun; Sung, Yung-Eun; Piao, Yuanzhe
2014-01-01
Solvothermal processes are considered efficient approaches for the gram-scale production of graphene. Further modification of graphene by chemical doping is an important approach to tailor its properties. In this work, we successfully synthesized sulfur-doped graphene by using a solvothermal method with dimethyl sulfoxide as a precursor, which is a common laboratory reagent. Nitrogen-doped graphene was produced to demonstrate the generality of this process. These heteroatom-doped graphene materials exhibited high surface areas and high contents of heteroatoms. Furthermore, the lithium-ion storage properties and oxygen reduction reaction catalytic activity of these materials were also investigated. The success of this approach might facilitate the development of other advanced graphene-based materials with relative simplicity, scalability, and cost effectiveness for use in various potential applications. PMID:25007833
HEMI: Hyperedge Majority Influence Maximization
Gangal, Varun; Narayanam, Ramasuri
2016-01-01
In this work, we consider the problem of influence maximization on a hypergraph. We first extend the Independent Cascade (IC) model to hypergraphs, and prove that the traditional influence maximization problem remains submodular. We then present a variant of the influence maximization problem (HEMI) where one seeks to maximize the number of hyperedges, a majority of whose nodes are influenced. We prove that HEMI is non-submodular under the diffusion model proposed.
Andersen, Klaus Ejner
1985-01-01
Guinea pig maximization tests (GPMT) with chlorocresol were performed to ascertain whether the sensitization rate was affected by minor changes in the Freund's complete adjuvant (FCA) emulsion used. Three types of emulsion were evaluated: the oil phase was mixed with propylene glycol, saline...... with 30% (v/v) ethanol or saline, respectively. Relative viscosity was used as one measure of physical properties of the emulsion. Higher degrees of sensitization (but not rates) were obtained at the 48 h challenge reading with the oil/propylene glycol and oil/saline + ethanol emulsions compared...... to the saline/oil emulsion. Placing of the challenge patches affected the response, as simultaneous chlorocresol challenge on the flank located 2 cm closer to the abdomen than the usual challenge site gave decreased reactions....
Zhao, Zhenghang; Li, Mingtao; Zhang, Lipeng; Dai, Liming; Xia, Zhenhai
2015-11-18
Oxygen reduction reaction/oxygen evolution reaction (ORR/OER) catalytic activities of p-orbital heteroatom-doped carbon nanomaterials are demonstrated to correlate to the combination of the electron affinity and electronegativity of doping elements, which serves as an activity descriptor for the entire family of p-block element dopants. Such a descriptor has predictive power and enables effective design of new bifunctional catalysts with enhanced ORR/OER activities.
Hua, Guoxiong; Du, Junyi; Cordes, David Bradford; Athukorala Arachchige, Kasun Sankalpa; Slawin, Alexandra Martha Zoya; Woollins, J. Derek
2016-01-01
A series of new selenium-containing heteroatom compounds were synthesized in good yields by the reactions of Woollins’ reagent with various organic substrates such as cyclohexanamine, N-benzoylbenzamide, benzoic anhydride, 4-fluoro-N-(2-oxo-2-phenylethyl)benzamide, N-benzoylbenzamide, benzoic anhydride, 3-(bromomethyl)benzonitrile, 1,2-diphenylethane-1,2-diol and sodium alcoholate. Three representative X-ray structures are described. Postprint Postprint Peer reviewed
Tetrahedral symmetry in Zr nuclei: Calculations of low-energy excitations with Gogny interaction
Tagami, Shingo; Dudek, Jerzy
2014-01-01
We report on the results of the calculations of the low energy excitation patterns for three Zirconium isotopes, viz. $^{80}$Zr$_{40}$, $^{96}$Zr$_{56}$ and $^{110}$Zr$_{70}$, reported by other authors to be doubly-magic tetrahedral nuclei (with tetrahedral magic numbers $Z$=40 and $N$=40, 56 and 70). We employ the realistic Gogny effective interactions using three variants of their parametrisation and the particle-number, parity and the angular-momentum projection techniques. We confirm quantitatively that the resulting spectra directly follow the pattern expected from the group theory considerations for the tetrahedral symmetric quantum objects. We also find out that, for all the nuclei studied, the correlation energy obtained after the angular momentum projection is very large for the tetrahedral deformation as well as other octupole deformations. The lowering of the energies of the resulting configurations is considerable, i.e. by about 10 MeV or even more, once again confirming the significance of the an...
A review of defects and disorder in multinary tetrahedrally bonded semiconductors
Baranowski, Lauryn L.; Zawadzki, Pawel; Lany, Stephan; Toberer, Eric S.; Zakutayev, Andriy
2016-12-01
Defects are critical to understanding the electronic properties of semiconducting compounds, for applications such as light-emitting diodes, transistors, photovoltaics, and thermoelectrics. In this review, we describe our work investigating defects in tetrahedrally bonded, multinary semiconductors, and discuss the place of our research within the context of publications by other groups. We applied experimental and theory techniques to understand point defects, structural disorder, and extended antisite defects in one semiconductor of interest for photovoltaic applications, Cu2SnS3. We contrast our findings on Cu2SnS3 with other chemically related Cu-Sn-S compounds, as well as structurally related compounds such as Cu2ZnSnS4 and Cu(In,Ga)Se2. We find that evaluation of point defects alone is not sufficient to understand defect behavior in multinary tetrahedrally bonded semiconductors. In the case of Cu2SnS3 and Cu2ZnSnS4, structural disorder and entropy-driven cation clustering can result in nanoscale compositional inhomogeneities which detrimentally impact the electronic transport. Therefore, it is not sufficient to assess only the point defect behavior of new multinary tetrahedrally bonded compounds; effects such as structural disorder and extended antisite defects must also be considered. Overall, this review provides a framework for evaluating tetrahedrally bonded semiconducting compounds with respect to their defect behavior for photovoltaic and other applications, and suggests new materials that may not be as prone to such imperfections.
Fostering Teacher Development to a Tetrahedral Orientation in the Teaching of Chemistry
Lewthwaite, Brian; Wiebe, Rick
2011-01-01
This paper reports on the initial outcomes from the end of the fourth year of a 5 year research and professional development project to improve chemistry teaching among three cohorts of chemistry teachers in Manitoba, Canada. The project responds to a new curriculum introduction advocating a tetrahedral orientation (Mahaffy, "Journal of…
A Review of Defects and Disorder in Multinary Tetrahedrally Bonded Semiconductors
Baranowski, Lauryn L.; Zawadzki, Pawel; Lany, Stephan; Toberer, Eric S.; Zakutayev, Andriy
2016-12-01
Defects are critical to understanding the electronic properties of semiconducting compounds, for applications such as light-emitting diodes, transistors, photovoltaics, and thermoelectrics. In this review, we describe our work investigating defects in tetrahedrally bonded, multinary semiconductors, and discuss the place of our research within the context of publications by other groups. We applied experimental and theory techniques to understand point defects, structural disorder, and extended antisite defects in one semiconductor of interest for photovoltaic applications, Cu2SnS3. We contrast our findings on Cu2SnS3 with other chemically related Cu-Sn-S compounds, as well as structurally related compounds such as Cu2ZnSnS4 and Cu(In,Ga)Se2. We find that evaluation of point defects alone is not sufficient to understand defect behavior in multinary tetrahedrally bonded semiconductors. In the case of Cu2SnS3 and Cu2ZnSnS4, structural disorder and entropy-driven cation clustering can result in nanoscale compositional inhomogeneities which detrimentally impact the electronic transport. Therefore, it is not sufficient to assess only the point defect behavior of new multinary tetrahedrally bonded compounds; effects such as structural disorder and extended antisite defects must also be considered. Overall, this review provides a framework for evaluating tetrahedrally bonded semiconducting compounds with respect to their defect behavior for photovoltaic and other applications, and suggests new materials that may not be as prone to such imperfections.
Effect of Substrate Bias on Microstructure and Properties of Tetrahedral Amorphous Carbon Films
Jiaqi ZHU; Jiecai HAN; Songhe MENG; Qiang LI; Manlin TAN
2003-01-01
The microstructure and properties of tetrahedral amorphous carbon (ta-C) films deposited by the filtered cathodic vacuum arc technology has been investigated by visible Raman spectroscopy, AFM and Nano-indentor. The Raman spectra have been fitted with a s
Mixed-metal chalcogenide tetrahedral clusters with an exo-polyhedral metal fragment.
Yuvaraj, K; Roy, Dipak Kumar; Anju, V P; Mondal, Bijnaneswar; Varghese, Babu; Ghosh, Sundargopal
2014-12-07
The reaction of metal carbonyl compounds with group 6 and 8 metallaboranes led us to report the synthesis and structural characterization of several novel mixed-metal chalcogenide tetrahedral clusters. Thermolysis of arachno-[(Cp*RuCO)2B2H6], 1, and [Os3(CO)12] in the presence of 2-methylthiophene yielded [Cp*Ru(CO)2(μ-H){Os3(CO)9}S], 3, and [Cp*Ru(μ-H){Os3(CO)11}], 4. In a similar fashion, the reaction of [(Cp*Mo)2B5H9], 2, with [Ru3(CO)12] and 2-methylthiophene yielded [Cp*Ru(CO)2(μ-H){Ru3(CO)9}S], 5, and conjuncto-[(Cp*Mo)2B5H8(μ-H){Ru3(CO)9}S], 6. Both compounds 3 and 5 can be described as 50-cve (cluster valence electron) mixed-metal chalcogenide clusters, in which a sulfur atom replaces one of the vertices of the tetrahedral core. Compounds 3 and 5 possess a [M3S] tetrahedral core, in which the sulfur is attached to an exo-metal fragment, unique in the [M3S] metal chalcogenide tetrahedral arrangements. All the compounds have been characterized by mass spectrometry, IR, and (1)H, (11)B and (13)C NMR spectroscopy in solution, and the solid state structures were unequivocally established by crystallographic analysis of compounds 3, 5 and 6.
A tetrahedral mesh generation approach for 3D marine controlled-source electromagnetic modeling
Um, Evan Schankee; Kim, Seung-Sep; Fu, Haohuan
2017-03-01
3D finite-element (FE) mesh generation is a major hurdle for marine controlled-source electromagnetic (CSEM) modeling. In this paper, we present a FE discretization operator (FEDO) that automatically converts a 3D finite-difference (FD) model into reliable and efficient tetrahedral FE meshes for CSEM modeling. FEDO sets up wireframes of a background seabed model that precisely honors the seafloor topography. The wireframes are then partitioned into multiple regions. Outer regions of the wireframes are discretized with coarse tetrahedral elements whose maximum size is as large as a skin depth of the regions. We demonstrate that such coarse meshes can produce accurate FE solutions because numerical dispersion errors of tetrahedral meshes do not accumulate but oscillates. In contrast, central regions of the wireframes are discretized with fine tetrahedral elements to describe complex geology in detail. The conductivity distribution is mapped from FD to FE meshes in a volume-averaged sense. To avoid excessive mesh refinement around receivers, we introduce an effective receiver size. Major advantages of FEDO are summarized as follow. First, FEDO automatically generates reliable and economic tetrahedral FE meshes without adaptive meshing or interactive CAD workflows. Second, FEDO produces FE meshes that precisely honor the boundaries of the seafloor topography. Third, FEDO derives multiple sets of FE meshes from a given FD model. Each FE mesh is optimized for a different set of sources and receivers and is fed to a subgroup of processors on a parallel computer. This divide and conquer approach improves the parallel scalability of the FE solution. Both accuracy and effectiveness of FEDO are demonstrated with various CSEM examples.
MAXIMS VIOLATIONS IN LITERARY WORK
Widya Hanum Sari Pertiwi
2015-12-01
Full Text Available This study was qualitative research action that focuses to find out the flouting of Gricean maxims and the functions of the flouting in the tales which are included in collection of children literature entitled My Giant Treasury of Stories and Rhymes. The objective of the study is generally to identify the violation of maxims of quantity, quality, relevance, and manner in the data sources and also to analyze the use of the flouting in the tales which are included in the book. Qualitative design using categorizing strategies, specifically coding strategy, was applied. Thus, the researcher as the instrument in this investigation was selecting the tales, reading them, and gathering every item which reflects the violation of Gricean maxims based on some conditions of flouting maxims. On the basis of the data analysis, it was found that the some utterances in the tales, both narration and conversation, flouting the four maxims of conversation, namely maxim of quality, maxim of quantity, maxim of relevance, and maxim of manner. The researcher has also found that the flouting of maxims has one basic function that is to encourage the readers’ imagination toward the tales. This one basic function is developed by six others functions: (1 generating specific situation, (2 developing the plot, (3 enlivening the characters’ utterance, (4 implicating message, (5 indirectly characterizing characters, and (6 creating ambiguous setting. Keywords: children literature, tales, flouting maxims
Yang, Xiaodong [School of Chemistry and Chemical Engineering, South China University of Technology, Guangzhou 510640 (China); Gao, Ya; Huang, Zhibing; Chen, Xiaohui; Ke, Zhiyong [School of Basic Medical Science, Southern Medical University, Guangzhou 510515 (China); Zhao, Peiliang; Yan, Yichen [Department of Organic Pharmaceutical Chemistry, School of Pharmaceutical Sciences, Southern Medical University, Guangzhou 510515 (China); Liu, Ruiyuan, E-mail: ruiyliu@smu.edu.cn [Department of Organic Pharmaceutical Chemistry, School of Pharmaceutical Sciences, Southern Medical University, Guangzhou 510515 (China); Qu, Jinqing, E-mail: cejqqu@scut.edu.cn [School of Chemistry and Chemical Engineering, South China University of Technology, Guangzhou 510640 (China)
2015-07-01
A novel fluorescent probe based on heteroatom containing styrylcyanine is synthesized. The fluorescence of probe is bright green in basic and neutral media but dark orange in strong acidic environments, which could be reversibly switched. Such behavior enables it to work as a fluorescent pH sensor in the solution state and a chemosensor for detecting acidic and basic volatile organic compounds. Analyses by NMR spectroscopy confirm that the protonation or deprotonation of pyridinyl moiety is responsible for the sensing process. In addition, the fluorescent microscopic images of probe in live cells and zebrafish are achieved successfully, suggesting that the probe has good cell membrane permeability and low cytotoxicity. - Graphical abstract: A novel styrylcyanine-based fluorescent pH probe was designed and synthesized, the fluorescence of which is bright green in basic and neutral media but dark orange in strong acidic environments. Such behavior enables it to work as a fluorescent pH sensor in solution states, and a chemosensor for detecting volatile organic compounds with high acidity and basicity in solid state. In addition, it can be used for fluorescent imaging in living cell and living organism. - Highlights: • Bright green fluorescence was observed in basic and neutral media. • Dark orange fluorescence was found in strong acidic environments. • Volatile organic compounds with high acidity and basicity could be detected. • Bioimaging in living cell and living organism was achieved successfully.
Removal of heteroatoms and metals from heavy oils by bioconversion processes
Kaufman, E.N.
1996-06-01
Biocatalysts, either appropriate microorganisms or isolated enzymes, will be used in an aqueous phase in contact with the heavy oil phase to extract heteroatoms such as sulfur from the oil phase by bioconversion processes. Somewhat similar work on coal processing will be adapted and extended for this application. Bacteria such as Desulfovibrio desulfuricans will be studied for the reductive removal of organically-bound sulfur and bacteria such as Rhodococcus rhodochrum will be investigated for the oxidative removal of sulfur. Isolated bacteria from either oil field co-produced sour water or from soil contaminated by oil spills will also be tested. At a later time, bacteria that interact with organic nitrogen may also be studied. This type of interaction will be carried out in advanced bioreactor systems where organic and aqueous phases are contacted. One new concept of emulsion-phase contacting, which will be investigated, disperses the aqueous phase in the organic phase and is then recoalesced for removal of the contaminants and recycled back to the reactor. This program is a cooperative research and development program with the following companies: Baker Performance Chemicals, Chevron, Energy BioSystems, Exxon, Texaco, and UNOCAL. After verification of the bioprocessing concepts on a laboratory-scale, the end-product will be a demonstration of the technology at an industrial site. This should result in rapid transfer of the technology to industry.
Hierarchically porous and heteroatom doped carbon derived from tobacco rods for supercapacitors
Zhao, Yong-Qing; Lu, Min; Tao, Peng-Yu; Zhang, Yun-Jie; Gong, Xiao-Ting; Yang, Zhi; Zhang, Guo-Qing; Li, Hu-Lin
2016-03-01
A novel tobacco rods-derived carbon (TC) has been prepared by hydrothermal carbonization and potassium hydroxide activation strategy for supercapacitors application. The physicochemical properties of TC are investigated by X-ray diffraction, Raman spectra, Scanning electron microscopy, Nitrogen adsorption-desorption isotherms, X-ray photoelectron spectroscopy, and four-probe tests. Results show TC derived from different tobacco rods possesses similar properties, such as amorphous state, high specific surface area, hierarchical porous structure, numerous heteroatom groups, and good electrical conductivity. The electrochemical characteristics of TC are examined via cyclic voltammetry, galvanostatic charge-discharge, and electrochemical impedance spectroscopy measurements. In a three-electrode system, TC exhibits high capacitance with 286.6 F g-1 at 0.5 A g-1, excellent rate performance with 212.1 F g-1 even at 30 A g-1, and outstanding cyclic stability with 96% capacitance retention after 10,000 cycles at 5 A g-1. Furthermore, TC supercapacitor devices can deliver an energy density of 31.3 Wh kg-1 at 0.5 A g-1 and power density of 11.8 kW kg-1 at 15 A g-1. Therefore, this novel concept of tobacco use, namely tobacco rods from cigarette (the harmful) to high-performance carbon for supercapacitors (the beneficial), is an extremely promising strategy for developing high-performance carbon from renewable sources, and supporting the tobacco control.
C. Doyranli
2016-09-01
Full Text Available A series of carbazole-based polymers were synthesized via Suzuki polymerization between N-(2-ethylhexylcarbazole-3,6-bis(ethyleneboronate (Cbz and dibromobenzazole unit. Three different polymers, PCBN, PCBS and PCBSe were obtained from 4,7-dibromo-2-hexyl-2H-benzotriazole (BN, 4,7-dibromo-2,1,3-benzothiadiazole- (BS and 4,7-dibromo-2,1,3-benzoselenadiazole (BSe, respectively. It is observed that, the variation of heteroatoms (N,S and Se on the benzazole unit have most important effect on electro-optic properties of the PCBX polymers. Neutral state color of the polymer films and their electrochromic performances are also influenced. Among the synthesized polymers, the PCBS bearing 2,1,3-benzothiadiazole as acceptor units has a broad absorption and 50% of ΔT in the near-IR regime at the oxidized state. This property of PCBS is a great advantage for near-IR electrochromic applications.
X-ray photoelectron spectroscopy of graphitic carbon nanomaterials doped with heteroatoms
Toma Susi
2015-01-01
Full Text Available X-ray photoelectron spectroscopy (XPS is one of the best tools for studying the chemical modification of surfaces, and in particular the distribution and bonding of heteroatom dopants in carbon nanomaterials such as graphene and carbon nanotubes. Although these materials have superb intrinsic properties, these often need to be modified in a controlled way for specific applications. Towards this aim, the most studied dopants are neighbors to carbon in the periodic table, nitrogen and boron, with phosphorus starting to emerge as an interesting new alternative. Hundreds of studies have used XPS for analyzing the concentration and bonding of dopants in various materials. Although the majority of works has concentrated on nitrogen, important work is still ongoing to identify its precise atomic bonding configurations. In general, care should be taken in the preparation of a suitable sample, consideration of the intrinsic photoemission response of the material in question, and the appropriate spectral analysis. If this is not the case, incorrect conclusions can easily be drawn, especially in the assignment of measured binding energies into specific atomic configurations. Starting from the characteristics of pristine materials, this review provides a practical guide for interpreting X-ray photoelectron spectra of doped graphitic carbon nanomaterials, and a reference for their binding energies that are vital for compositional analysis via XPS.
Goldfarb, Jillian L; Suuberg, Eric M
2010-06-01
The vapor pressures of seven heteroatom-containing cyclic aromatic hydrocarbons, ranging in molecular weight from (168.19 to 208.21) grams plus sign in circlemol(-1) were measured over the temperature range of (301 to 486) Kelvin using the isothermal Knudsen effusion technique. The compounds measured include: anthraquinone, 9-fluorenone, 9-fluorenone oxime, phenoxazine, phenoxathiin and 9H-pyrido[3,4-b]indole. These solid-state sublimation measurements provided values that are compared to vapor pressures of parent aromatic compounds (anthracene and fluorene) and to others with substituent groups in order to examine the effects of alcohol, ketone, pyridine, and pyrrole functionality on this property. The enthalpies and entropies of sublimation for each compound were determined from the Clausius-Clapeyron equation. Though there is no consistent trend in terms of the effects of substitutions on changes in the enthalpy or entropy of sublimation, we note that the prevalence of enthalpic or entropic driving forces on vapor pressure depend on molecule-specific factors and not merely molecular weight of the substituents.
X-ray photoelectron spectroscopy of graphitic carbon nanomaterials doped with heteroatoms.
Susi, Toma; Pichler, Thomas; Ayala, Paola
2015-01-01
X-ray photoelectron spectroscopy (XPS) is one of the best tools for studying the chemical modification of surfaces, and in particular the distribution and bonding of heteroatom dopants in carbon nanomaterials such as graphene and carbon nanotubes. Although these materials have superb intrinsic properties, these often need to be modified in a controlled way for specific applications. Towards this aim, the most studied dopants are neighbors to carbon in the periodic table, nitrogen and boron, with phosphorus starting to emerge as an interesting new alternative. Hundreds of studies have used XPS for analyzing the concentration and bonding of dopants in various materials. Although the majority of works has concentrated on nitrogen, important work is still ongoing to identify its precise atomic bonding configurations. In general, care should be taken in the preparation of a suitable sample, consideration of the intrinsic photoemission response of the material in question, and the appropriate spectral analysis. If this is not the case, incorrect conclusions can easily be drawn, especially in the assignment of measured binding energies into specific atomic configurations. Starting from the characteristics of pristine materials, this review provides a practical guide for interpreting X-ray photoelectron spectra of doped graphitic carbon nanomaterials, and a reference for their binding energies that are vital for compositional analysis via XPS.
Swanepoel, Konrad J
2011-01-01
A subset of a normed space X is called equilateral if the distance between any two points is the same. Let m(X) be the smallest possible size of an equilateral subset of X maximal with respect to inclusion. We first observe that Petty's construction of a d-dimensional X of any finite dimension d >= 4 with m(X)=4 can be generalised to show that m(X\\oplus_1\\R)=4 for any X of dimension at least 2 which has a smooth point on its unit sphere. By a construction involving Hadamard matrices we then show that both m(\\ell_p) and m(\\ell_p^d) are finite and bounded above by a function of p, for all 1 1 such that m(X) <= d+1 for all d-dimensional X with Banach-Mazur distance less than c from \\ell_p^d. Using Brouwer's fixed-point theorem we show that m(X) <= d+1 for all d-\\dimensional X with Banach-Mazur distance less than 3/2 from \\ell_\\infty^d. A graph-theoretical argument furthermore shows that m(\\ell_\\infty^d)=d+1. The above results lead us to conjecture that m(X) <= 1+\\dim X.
Unified Maximally Natural Supersymmetry
Huang, Junwu
2016-01-01
Maximally Natural Supersymmetry, an unusual weak-scale supersymmetric extension of the Standard Model based upon the inherently higher-dimensional mechanism of Scherk-Schwarz supersymmetry breaking (SSSB), possesses remarkably good fine tuning given present LHC limits. Here we construct a version with precision $SU(2)_{\\rm L} \\times U(1)_{\\rm Y} $ unification: $\\sin^2 \\theta_W(M_Z) \\simeq 0.231$ is predicted to $\\pm 2\\%$ by unifying $SU(2)_{\\rm L} \\times U(1)_{\\rm Y} $ into a 5D $SU(3)_{\\rm EW}$ theory at a Kaluza-Klein scale of $1/R_5 \\sim 4.4\\,{\\rm TeV}$, where SSSB is simultaneously realised. Full unification with $SU(3)_{\\rm C}$ is accommodated by extending the 5D theory to a $N=4$ supersymmetric $SU(6)$ gauge theory on a 6D rectangular orbifold at $1/R_6 \\sim 40 \\,{\\rm TeV}$. TeV-scale states beyond the SM include exotic charged fermions implied by $SU(3)_{\\rm EW}$ with masses lighter than $\\sim 1.2\\,{\\rm TeV}$, and squarks in the mass range $1.4\\,{\\rm TeV} - 2.3\\,{\\rm TeV}$, providing distinct signature...
Maximal subgroups of finite groups
S. Srinivasan
1990-01-01
Full Text Available In finite groups maximal subgroups play a very important role. Results in the literature show that if the maximal subgroup has a very small index in the whole group then it influences the structure of the group itself. In this paper we study the case when the index of the maximal subgroups of the groups have a special type of relation with the Fitting subgroup of the group.
Finding Maximal Quasiperiodicities in Strings
Brodal, Gerth Stølting; Pedersen, Christian N. S.
2000-01-01
of length n in time O(n log n) and space O(n). Our algorithm uses the suffix tree as the fundamental data structure combined with efficient methods for merging and performing multiple searches in search trees. Besides finding all maximal quasiperiodic substrings, our algorithm also marks the nodes......Apostolico and Ehrenfeucht defined the notion of a maximal quasiperiodic substring and gave an algorithm that finds all maximal quasiperiodic substrings in a string of length n in time O(n log2 n). In this paper we give an algorithm that finds all maximal quasiperiodic substrings in a string...
Maximizing Entropy over Markov Processes
Biondi, Fabrizio; Legay, Axel; Nielsen, Bo Friis
2013-01-01
computation reduces to finding a model of a specification with highest entropy. Entropy maximization for probabilistic process specifications has not been studied before, even though it is well known in Bayesian inference for discrete distributions. We give a characterization of global entropy of a process...... as a reward function, a polynomial algorithm to verify the existence of an system maximizing entropy among those respecting a specification, a procedure for the maximization of reward functions over Interval Markov Chains and its application to synthesize an implementation maximizing entropy. We show how...
Maximizing entropy over Markov processes
Biondi, Fabrizio; Legay, Axel; Nielsen, Bo Friis
2014-01-01
computation reduces to finding a model of a specification with highest entropy. Entropy maximization for probabilistic process specifications has not been studied before, even though it is well known in Bayesian inference for discrete distributions. We give a characterization of global entropy of a process...... as a reward function, a polynomial algorithm to verify the existence of a system maximizing entropy among those respecting a specification, a procedure for the maximization of reward functions over Interval Markov Chains and its application to synthesize an implementation maximizing entropy. We show how...
Selective formation of tetrahedral Pt nanocrystals from K2PtCl6/PVP
YU Yingtao; XU Boqing
2003-01-01
Tetrahedral platinum (Pt) nanocrystals (3-8 nm) are synthesized in high selectivity (ca. 80%) from hydrogen reduction of aqueous K2PtCl6 by using polyvinylpyrrolidone (PVP: Mw≈360000) as a protector. Morphology (TEM) measurements of the metal colloids and UV-Vis absorption of the colloidal solution are employed to monitor the tetrahedron formation during the syntheses with varying K2PtCl6/PVP ratios. The results clearly show a two-stage process for the selective formation of tetrahedral nanocrystals. Rapid nucleation and crystal formation at the early stage result in round-like crystallites and the external facet evolution in thereafter slow crystal growth leads selectively to the formation of the tetrahedrons.
Fostering Teacher Development to a Tetrahedral Orientation in the Teaching of Chemistry
Lewthwaite, Brian; Wiebe, Rick
2011-11-01
This paper reports on the initial outcomes from the end of the fourth year of a 5 year research and professional development project to improve chemistry teaching among three cohorts of chemistry teachers in Manitoba, Canada. The project responds to a new curriculum introduction advocating a tetrahedral orientation (Mahaffy, Journal of Chemical Education 83(1), 49-55, 2006) to the teaching of chemistry. The project in its entirety is based upon several theoretical models in fostering chemistry teacher development (in particular Bronfenbrenner's bio-ecological model). These models are described, as is the progress made by teachers based upon the use of a Chemistry Teacher Inventory and associated teacher responses. Overall, statistical analysis of perceptions of their own teaching and comments made by teachers suggests they are showing limited development towards a tetrahedral orientation, albeit in a manner consistent with the curriculum. Ongoing research-based activities in this project are also described.
Transport of phase space densities through tetrahedral meshes using discrete flow mapping
Bajars, Janis; Sondergaard, Niels; Tanner, Gregor
2016-01-01
Discrete flow mapping was recently introduced as an efficient ray based method determining wave energy distributions in complex built up structures. Wave energy densities are transported along ray trajectories through polygonal mesh elements using a finite dimensional approximation of a ray transfer operator. In this way the method can be viewed as a smoothed ray tracing method defined over meshed surfaces. Many applications require the resolution of wave energy distributions in three-dimensional domains, such as in room acoustics, underwater acoustics and for electromagnetic cavity problems. In this work we extend discrete flow mapping to three-dimensional domains by propagating wave energy densities through tetrahedral meshes. The geometric simplicity of the tetrahedral mesh elements is utilised to efficiently compute the ray transfer operator using a mixture of analytic and spectrally accurate numerical integration. The important issue of how to choose a suitable basis approximation in phase space whilst m...
3D level set methods for evolving fronts on tetrahedral meshes with adaptive mesh refinement
Morgan, Nathaniel R.; Waltz, Jacob I.
2017-05-01
The level set method is commonly used to model dynamically evolving fronts and interfaces. In this work, we present new methods for evolving fronts with a specified velocity field or in the surface normal direction on 3D unstructured tetrahedral meshes with adaptive mesh refinement (AMR). The level set field is located at the nodes of the tetrahedral cells and is evolved using new upwind discretizations of Hamilton-Jacobi equations combined with a Runge-Kutta method for temporal integration. The level set field is periodically reinitialized to a signed distance function using an iterative approach with a new upwind gradient. The details of these level set and reinitialization methods are discussed. Results from a range of numerical test problems are presented.
Miao, Peng; Wang, Bidou; Chen, Xifeng; Li, Xiaoxi; Tang, Yuguo
2015-03-25
MicroRNAs are not only important regulators of a wide range of cellular processes but are also identified as promising disease biomarkers. Due to the low contents in serum, microRNAs are always difficult to detect accurately . In this study, an electrochemical biosensor for ultrasensitive detection of microRNA based on tetrahedral DNA nanostructure is developed. Four DNA single strands are engineered to form a tetrahedral nanostructure with a pendant stem-loop and modified on a gold electrode surface, which largely enhances the molecular recognition efficiency. Moreover, taking advantage of strand displacement polymerization, catalytic recycling of microRNA, and silver nanoparticle-based solid-state Ag/AgCl reaction, the proposed biosensor exhibits high sensitivity with the limit of detection down to 0.4 fM. This biosensor shows great clinical value and may have practical utility in early diagnosis and prognosis of certain diseases.
Pleiner, Harald; Brand, Helmut R
2014-02-01
We discuss the symmetry properties as well as the dynamic behavior of various non-polar nematic liquid crystal phases with tetrahedral order. We concentrate on systems that show biaxial nematic order coexisting with octupolar (tetrahedral) order. Non-polar examples are phases with D2 and S4 symmetries, which can be characterized as biaxial nematics lacking inversion symmetry. It is this combination that allows for new features in the statics and dynamics of these phases. The D2-symmetric phase is chiral, even for achiral molecules, and shows ambidextrous chirality in all three preferred directions. The achiral S4-symmetric phase allows for ambidextrous helicity, similar to the higher-symmetric D2d-symmetric phase. Such phases are candidates for nematic phases made from banana-shaped molecules.
A study of pH-dependence of shrink and stretch of tetrahedral DNA nanostructures.
Wang, Ping; Xia, Zhiwei; Yan, Juan; Liu, Xunwei; Yao, Guangbao; Pei, Hao; Zuo, Xiaolei; Sun, Gang; He, Dannong
2015-04-21
We monitored the shrink and stretch of the tetrahedral DNA nanostructure (TDN) and the i-motif connected TDN structure at pH 8.5 and pH 4.5, and we found that not only the i-motif can change its structure when the pH changes, but also the TDN and the DNA double helix change their structures when the pH changes.
A Novel Tetrahedral Mesh Generation Method for Rotating Machines Including End-Coil Region
Yamashita, Hideo; Yamaji, Akihisa; Cingoski, Vlatko; Kaneda, Kazufumi
1996-01-01
In this paper, a novel method for generating tetrahedral finite-element meshes suitable for 3-D finite element analysis of rotating machines is presented. The proposed method enables the easy development of 3-D meshes for various rotating machines, especially in the end-coil region and the surrounding air region. Tessellation of the 3-D region is made possible by simple extension of a previously generated 2-D triangular mesh, used as a model mesh, into the third dimension.
An Efficient Optimization Procedure for Tetrahedral Meshes by Chaos Search Algorithm
SUN ShuLi (孙树立); LIU JianFei (刘剑飞)
2003-01-01
A simple and efficient local optimization-based procedure for node repositioning/smoothing of three-dimensional tetrahedral meshes is presented. The initial tetrahedral mesh is optimized with respect to a specified element shape measure by chaos search algorithm, which is very effective for the optimization problems with only a few design variables. Examples show that the presented smoothing procedure can provide favorable conditions for local transformation approach and the quality of mesh can be significantly improved by the combination of these two procedures with respect to a specified element shape measure. Meanwhile, several commonly used shape measures for tetrahedral element, which are considered to be equivalent in some weak sense over a long period of time, are briefly re-examined in this paper. Preliminary study indicates that using different measures to evaluate the change of element shape will probably lead to inconsistent result for both well shaped and poorly shaped elements. The proposed smoothing approach can be utilized as an appropriate and effective tool for evaluating element shape measures and their influence on mesh optimization process and optimal solution.
Transport of phase space densities through tetrahedral meshes using discrete flow mapping
Bajars, Janis; Chappell, David J.; Søndergaard, Niels; Tanner, Gregor
2017-01-01
Discrete flow mapping was recently introduced as an efficient ray based method determining wave energy distributions in complex built up structures. Wave energy densities are transported along ray trajectories through polygonal mesh elements using a finite dimensional approximation of a ray transfer operator. In this way the method can be viewed as a smoothed ray tracing method defined over meshed surfaces. Many applications require the resolution of wave energy distributions in three-dimensional domains, such as in room acoustics, underwater acoustics and for electromagnetic cavity problems. In this work we extend discrete flow mapping to three-dimensional domains by propagating wave energy densities through tetrahedral meshes. The geometric simplicity of the tetrahedral mesh elements is utilised to efficiently compute the ray transfer operator using a mixture of analytic and spectrally accurate numerical integration. The important issue of how to choose a suitable basis approximation in phase space whilst maintaining a reasonable computational cost is addressed via low order local approximations on tetrahedral faces in the position coordinate and high order orthogonal polynomial expansions in momentum space.
A FAST ITERATIVE METHOD FOR SOLVING THE EIKONAL EQUATION ON TETRAHEDRAL DOMAINS.
Fu, Zhisong; Kirby, Robert M; Whitaker, Ross T
2013-01-01
Generating numerical solutions to the eikonal equation and its many variations has a broad range of applications in both the natural and computational sciences. Efficient solvers on cutting-edge, parallel architectures require new algorithms that may not be theoretically optimal, but that are designed to allow asynchronous solution updates and have limited memory access patterns. This paper presents a parallel algorithm for solving the eikonal equation on fully unstructured tetrahedral meshes. The method is appropriate for the type of fine-grained parallelism found on modern massively-SIMD architectures such as graphics processors and takes into account the particular constraints and capabilities of these computing platforms. This work builds on previous work for solving these equations on triangle meshes; in this paper we adapt and extend previous two-dimensional strategies to accommodate three-dimensional, unstructured, tetrahedralized domains. These new developments include a local update strategy with data compaction for tetrahedral meshes that provides solutions on both serial and parallel architectures, with a generalization to inhomogeneous, anisotropic speed functions. We also propose two new update schemes, specialized to mitigate the natural data increase observed when moving to three dimensions, and the data structures necessary for efficiently mapping data to parallel SIMD processors in a way that maintains computational density. Finally, we present descriptions of the implementations for a single CPU, as well as multicore CPUs with shared memory and SIMD architectures, with comparative results against state-of-the-art eikonal solvers.
Tetrahedral Element Shape Optimization via the Jacobian Determinant and Condition Number
FREITAG,LORI A.; KNUPP,PATRICK
1999-09-27
We present a new shape measure for tetrahedral elements that is optimal in the sense that it gives the distance of a tetrahedron from the set of inverted elements. This measure is constructed from the condition number of the linear transformation between a unit equilateral tetrahedron and any tetrahedron with positive volume. We use this shape measure to formulate two optimization objective functions that are differentiated by their goal: the first seeks to improve the average quality of the tetrahedral mesh; the second aims to improve the worst-quality element in the mesh. Because the element condition number is not defined for tetrahedral with negative volume, these objective functions can be used only when the initial mesh is valid. Therefore, we formulate a third objective function using the determinant of the element Jacobian that is suitable for mesh untangling. We review the optimization techniques used with each objective function and present experimental results that demonstrate the effectiveness of the mesh improvement and untangling methods. We show that a combined optimization approach that uses both condition number objective functions obtains the best-quality meshes.
Tetrahedral element shape optimization via the Jacobian determinant and condition number.
Freitag, L. A.; Knupp, P. M.
1999-07-30
We present a new shape measure for tetrahedral elements that is optimal in the sense that it gives the distance of a tetrahedron from the set of inverted elements. This measure is constructed from the condition number of the linear transformation between a unit equilateral tetrahedron and any tetrahedron with positive volume. We use this shape measure to formulate two optimization objective functions that are differentiated by their goal: the first seeks to improve the average quality of the tetrahedral mesh; the second aims to improve the worst-quality element in the mesh. Because the element condition number is not defined for tetrahedral with negative volume, these objective functions can be used only when the initial mesh is valid. Therefore, we formulate a third objective function using the determinant of the element Jacobian that is suitable for mesh untangling. We review the optimization techniques used with each objective function and present experimental results that demonstrate the effectiveness of the mesh improvement and untangling methods. We show that a combined optimization approach that uses both condition number objective functions obtains the best-quality meshes.
Gonzalez-Sanchez, Jon
2010-01-01
Let $w = w(x_1,..., x_n)$ be a word, i.e. an element of the free group $F =$ on $n$ generators $x_1,..., x_n$. The verbal subgroup $w(G)$ of a group $G$ is the subgroup generated by the set $\\{w (g_1,...,g_n)^{\\pm 1} | g_i \\in G, 1\\leq i\\leq n \\}$ of all $w$-values in $G$. We say that a (finite) group $G$ is $w$-maximal if $|G:w(G)|> |H:w(H)|$ for all proper subgroups $H$ of $G$ and that $G$ is hereditarily $w$-maximal if every subgroup of $G$ is $w$-maximal. In this text we study $w$-maximal and hereditarily $w$-maximal (finite) groups.
Navarro, Amparo; Fernández-Liencres, M. Paz; Peña-Ruiz, Tomás; García, Gregorio; Granadino-Roldán, José M.; Fernández-Gómez, Manuel
2016-08-01
Density functional theory calculations were carried out to investigate the evolvement of charge transport properties of a set of new discotic systems as a function of ring and heteroatom (B, Si, S, and Se) substitution on the basic structure of perylene. The replacement of six-membered rings by five-membered rings in the reference compound has shown a prominent effect on the electron reorganization energy that decreases ˜0.2 eV from perylene to the new carbon five-membered ring derivative. Heteroatom substitution with boron also revealed to lower the LUMO energy level and increase the electron affinity, therefore lowering the electron injection barrier compared to perylene. Since the rate of the charge transfer between two molecules in columnar discotic systems is strongly dependent on the orientation of the stacked cores, the total energy and transfer integral of a dimer as a disc is rotated with respect to the other along the stacking axis have been predicted. Aimed at obtaining a more realistic approach to the bulk structure, the molecular geometry of clusters made up of five discs was fully optimized, and charge transfer rate and mobilities were estimated for charge transport along a one dimensional pathway. Heteroatom substitution with selenium yields electron transfer integral values ˜0.3 eV with a relative disc orientation of 25°, which is the preferred angle according to the dimer energy profile. All the results indicate that the tetraselenium-substituted derivative, not synthetized so far, could be a promising candidate among those studied in this work for the fabrication of n-type semiconductors based on columnar discotic liquid crystals materials.
WANG; Hao; LI; Zhe; LIU; Yu
2007-01-01
A series of calixarene derivatives 2-5 containing heteroatom at the lower rim have been synthesized. 1H NMR studies and crystallographic structures demonstrated that the calix[4]arene derivatives adopted cone conformations. Their cationic binding abilities and selectivities towards heavy and transition metal ions have been evaluated by solvent extraction of aqueous metal picrates. The obtained results indicated that the introduction of nitrogen, sulfur, and/or phosphor atoms to the calix[4]arene framework could effectively enhance their binding ability and selectivity for heavy and transition metal ions, such as Pb2+ or Ag+.
Mazurek, Andrzej
2016-01-01
The properties of the series of Electron Donor-Acceptor (EDA) descriptors of classical substituent effect (sEDA(I), pEDA(I)), double bonded substituent effect (sEDA(=), pEDA(=)), heteroatom incorporation effect in monocyclic systems (sEDA(II), pEDA(II)), and in ring-junction position (sEDA(III), pEDA(III)), are reviewed. The descriptors show the amount of electrons donated to or withdrawn from the σ-(sEDA) or π(pEDA) valence orbitals by the substituent or incorporant. The new descriptors are expected to enrich the potency of QSAR analyses in drug design and materials chemistry.
Taylor, L.T.
1984-05-01
The objectives of the research are (1) evaluate the potential of FT-IR for qualitative functional group detection in chromatographic fractions of highly polar materials, (2) develop separation techniques with the aid of FT-IR detection for concentration of oxygen, nitrogen and sulfur functionalities in synfuels, (3) describe and quantify the various heteroatom functionalities in selected solvent refined coal fractions, (4) place speciation techniques on-line with chromatographic separations, (5) compare quantitative speciation information obtained from LC-FTIR with established fluorine tagging techniques regarding model compounds and synfuels. 23 figures, 5 tables.
Park, Minju; Lee, Taemin; Kim, Byeong-Su
2013-11-01
Oxygen reduction reaction (ORR) is an important reaction in energy conversion systems such as fuel cells and metal-air batteries. Carbon nanomaterials doped with heteroatoms are highly attractive materials for use as electrocatalysts by virtue of their excellent electrocatalytic activity, high conductivity, and large surface area. This study reports the synthesis of highly efficient electrocatalysts based on heteroatom-doped graphene nanosheets prepared through covalent functionalization using various small organic molecules and a subsequent thermal treatment. A series of nitrogen-doped reduced graphene oxide (NRGOn) nanosheets exhibited varying degrees and configurations of nitrogen atoms within the graphitic framework depending on the type of precursors used. On the basis of the rotating disk electrode (RDE) and rotating ring-disk electrode (RRDE) experiments, NRGO3, with a high degree of pyridinic-N content, displayed the desired one-step, quasi-four-electron transfer pathway during ORR, similar to commercial Pt/C. We also demonstrated the potential of covalent functionalization of sulfur and boron-doped graphene nanosheets.Oxygen reduction reaction (ORR) is an important reaction in energy conversion systems such as fuel cells and metal-air batteries. Carbon nanomaterials doped with heteroatoms are highly attractive materials for use as electrocatalysts by virtue of their excellent electrocatalytic activity, high conductivity, and large surface area. This study reports the synthesis of highly efficient electrocatalysts based on heteroatom-doped graphene nanosheets prepared through covalent functionalization using various small organic molecules and a subsequent thermal treatment. A series of nitrogen-doped reduced graphene oxide (NRGOn) nanosheets exhibited varying degrees and configurations of nitrogen atoms within the graphitic framework depending on the type of precursors used. On the basis of the rotating disk electrode (RDE) and rotating ring-disk electrode
Maximizing without difficulty: A modified maximizing scale and its correlates
Lai, Linda
2010-01-01
... included in several previous studies. Based on this scale, maximizing is positively correlated with optimism, need for cognition, desire for consistency, risk aversion, intrinsic motivation, self-efficacy and perceived workload, whereas...
Maximizing and customer loyalty: Are maximizers less loyal?
Linda Lai
2011-06-01
Full Text Available Despite their efforts to choose the best of all available solutions, maximizers seem to be more inclined than satisficers to regret their choices and to experience post-decisional dissonance. Maximizers may therefore be expected to change their decisions more frequently and hence exhibit lower customer loyalty to providers of products and services compared to satisficers. Findings from the study reported here (N = 1978 support this prediction. Maximizers reported significantly higher intentions to switch to another service provider (television provider than satisficers. Maximizers' intentions to switch appear to be intensified and mediated by higher proneness to regret, increased desire to discuss relevant choices with others, higher levels of perceived knowledge of alternatives, and higher ego involvement in the end product, compared to satisficers. Opportunities for future research are suggested.
Are maximizers really unhappy? The measurement of maximizing tendency,
Dalia L. Diab
2008-06-01
Full Text Available Recent research suggesting that people who maximize are less happy than those who satisfice has received considerable fanfare. The current study investigates whether this conclusion reflects the construct itself or rather how it is measured. We developed an alternative measure of maximizing tendency that is theory-based, has good psychometric properties, and predicts behavioral outcomes. In contrast to the existing maximization measure, our new measure did not correlate with life (dissatisfaction, nor with most maladaptive personality and decision-making traits. We conclude that the interpretation of maximizers as unhappy may be due to poor measurement of the construct. We present a more reliable and valid measure for future researchers to use.
Principles of maximally classical and maximally realistic quantum mechanics
S M Roy
2002-08-01
Recently Auberson, Mahoux, Roy and Singh have proved a long standing conjecture of Roy and Singh: In 2-dimensional phase space, a maximally realistic quantum mechanics can have quantum probabilities of no more than + 1 complete commuting cets (CCS) of observables coexisting as marginals of one positive phase space density. Here I formulate a stationary principle which gives a nonperturbative deﬁnition of a maximally classical as well as maximally realistic phase space density. I show that the maximally classical trajectories are in fact exactly classical in the simple examples of coherent states and bound states of an oscillator and Gaussian free particle states. In contrast, it is known that the de Broglie–Bohm realistic theory gives highly nonclassical trajectories.
Maximizing ROI with yield management
Neil Snyder
2001-01-01
.... the technology is based on the concept of yield management, which aims to sell the right product to the right customer at the right price and the right time therefore maximizing revenue, or yield...
Liu, Gang; Pan, Jian; Yin, Lichang; Li, Feng; Tan, Jun; Cheng, Hui-Ming [Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang (China); Irvine, John T.S.; Wormald, Philip [School of Chemistry, University of St. Andrews, Fife (United Kingdom)
2012-08-07
Understanding and manipulating the two half-reactions of photoinduced electron reduction and hole oxidation are key to designing and constructing efficient photocatalysts. Here, how the spatial distribution of the heteroatom modulates photocatalytic reduction (hydrogen evolution) and oxidation (oxygen evolution) reaction preferences is investigated by moving boron from the core to the shell of an anatase TiO{sub 2} microsphere along [001] via thermal diffusion control. The preference towards photocatalytic hydrogen and oxygen producing reactions from splitting water can be switched by creating a shell with an interstitial B{sup {sigma}}{sup +}({sigma}{<=}3) gradient in the TiO{sub 2} microsphere. This switching stems from the downward shift of electronic band edges of the shell by a band bending effect that originates from the extra electrons coming from the interstitial B{sup {sigma}}{sup +}. These results create new opportunities for designing and constructing efficient photocatalysts by spatial heteroatom engineering. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)
Szpunar, Joanna
2005-04-01
The recent developments in analytical techniques capable of providing information on the identity and quantity of heteroatom-containing biomolecules are critically discussed. Particular attention is paid to the emerging areas of bioinorganic analysis including: (i) a comprehensive analysis of the entirety of metal and metalloid species within a cell or tissue type (metallomics), (ii) the study of the part of the metallome involving the protein ligands (metalloproteomics), and (iii) the use of a heteroelement, naturally present in a protein or introduced in a tag added by means of derivatisation, for the spotting and quantification of proteins (heteroatom-tagged proteomics). Inductively coupled plasma mass spectrometry (ICP MS), used as detector in chromatography and electrophoresis, and supported by electrospray and MALDI MS, appears as the linchpin analytical technique for these emerging areas. This review focuses on the recent advances in ICP MS in biological speciation analysis including sensitive detection of non-metals, especially of sulfur and phosphorus, couplings to capillary and nanoflow HPLC and capillary electrophoresis, laser ablation ICP MS detection of proteins in gel electrophoresis, and isotope dilution quantification of biomolecules. The paper can be considered as a followup of a previous review by the author on a similar topic (J. Szpunar, Analyst, 2000, 125, 963).
Are CEOs Expected Utility Maximizers?
John List; Charles Mason
2009-01-01
Are individuals expected utility maximizers? This question represents much more than academic curiosity. In a normative sense, at stake are the fundamental underpinnings of the bulk of the last half-century's models of choice under uncertainty. From a positive perspective, the ubiquitous use of benefit-cost analysis across government agencies renders the expected utility maximization paradigm literally the only game in town. In this study, we advance the literature by exploring CEO's preferen...
Gaussian maximally multipartite entangled states
Facchi, Paolo; Lupo, Cosmo; Mancini, Stefano; Pascazio, Saverio
2009-01-01
We introduce the notion of maximally multipartite entangled states (MMES) in the context of Gaussian continuous variable quantum systems. These are bosonic multipartite states that are maximally entangled over all possible bipartitions of the system. By considering multimode Gaussian states with constrained energy, we show that perfect MMESs, which exhibit the maximum amount of bipartite entanglement for all bipartitions, only exist for systems containing n=2 or 3 modes. We further numerically investigate the structure of MMESs and their frustration for n <= 7.
All maximally entangling unitary operators
Cohen, Scott M. [Department of Physics, Duquesne University, Pittsburgh, Pennsylvania 15282 (United States); Department of Physics, Carnegie-Mellon University, Pittsburgh, Pennsylvania 15213 (United States)
2011-11-15
We characterize all maximally entangling bipartite unitary operators, acting on systems A and B of arbitrary finite dimensions d{sub A}{<=}d{sub B}, when ancillary systems are available to both parties. Several useful and interesting consequences of this characterization are discussed, including an understanding of why the entangling and disentangling capacities of a given (maximally entangling) unitary can differ and a proof that these capacities must be equal when d{sub A}=d{sub B}.
Salvio, Alberto; Strumia, Alessandro; Urbano, Alfredo
2016-01-01
Motivated by the 750 GeV diphoton excess found at LHC, we compute the maximal width into $\\gamma\\gamma$ that a neutral scalar can acquire through a loop of charged fermions or scalars as function of the maximal scale at which the theory holds, taking into account vacuum (meta)stability bounds. We show how an extra gauge symmetry can qualitatively weaken such bounds, and explore collider probes and connections with Dark Matter.
Rhodium-Catalyzed C-C Bond Formation via Heteroatom-Directed C-H Bond Activation
Colby, Denise; Bergman, Robert; Ellman, Jonathan
2010-05-13
Once considered the 'holy grail' of organometallic chemistry, synthetically useful reactions employing C-H bond activation have increasingly been developed and applied to natural product and drug synthesis over the past decade. The ubiquity and relative low cost of hydrocarbons makes C-H bond functionalization an attractive alternative to classical C-C bond forming reactions such as cross-coupling, which require organohalides and organometallic reagents. In addition to providing an atom economical alternative to standard cross - coupling strategies, C-H bond functionalization also reduces the production of toxic by-products, thereby contributing to the growing field of reactions with decreased environmental impact. In the area of C-C bond forming reactions that proceed via a C-H activation mechanism, rhodium catalysts stand out for their functional group tolerance and wide range of synthetic utility. Over the course of the last decade, many Rh-catalyzed methods for heteroatom-directed C-H bond functionalization have been reported and will be the focus of this review. Material appearing in the literature prior to 2001 has been reviewed previously and will only be introduced as background when necessary. The synthesis of complex molecules from relatively simple precursors has long been a goal for many organic chemists. The ability to selectively functionalize a molecule with minimal pre-activation can streamline syntheses and expand the opportunities to explore the utility of complex molecules in areas ranging from the pharmaceutical industry to materials science. Indeed, the issue of selectivity is paramount in the development of all C-H bond functionalization methods. Several groups have developed elegant approaches towards achieving selectivity in molecules that possess many sterically and electronically similar C-H bonds. Many of these approaches are discussed in detail in the accompanying articles in this special issue of Chemical Reviews. One approach
A three-dimensional tetrahedral-shaped conjugated small molecule for organic solar cells
QIN Yang
2014-04-01
Full Text Available We report the synthesis of a novel three-dimensional tetrahedral-shaped small molecule,SO,containing a tetraphenylsilane core and cyanoester functionalized terthiophene arms.A deep lying HOMO energy level of -5.3 eV and a narrow bandgap of 1.9 eV were obtained from cyclic voltammetry measurements.Absorption,X-ray scattering and differential scanning calorimetry experiments all indicate high crystallinity of this compound.Solar cells employing SO were fabricated and evaluated.The relatively low performance was mainly ascribed to lack of appreciable phase separation,which is confirmed by optical microscopy.
Raman spectra of nitrogen-doped tetrahedral amorphous carbon from first principles
NIU Li; ZHU JiaQi; GAO Wei; HAN Xiao; DU ShanYi
2009-01-01
The non-resonant vibrational Raman spectra of nitrogen-doped tetrahedral amorphous carbon have been calculated from first principles, including the generation of s structural model, and the calculation of vibrational frequencies, vibrational eigenmodes and Raman coupling tensors. The calculated Raman spectra are in good agreement with the experimental results. The broad band at around 500 cm~(-1) arises from mixed bonds. The T peak originates from the vibrations of sp~3 carbon and the G peak comes from the stretching vibrations of sp~2-type bonding of C=C and C=N. The simulation results indicate the direct contribution of N vibrations to Raman spectra.
Experimental evidence of tetrahedral interstitial and bond-centered Er in Ge
Decoster, S; Wahl, U; Correia, J G; Vantomme, A
2008-01-01
We report on an emission channeling study of the lattice site location of implanted Er in Ge together with its thermal stability. We found direct experimental evidence of Er atoms located on the tetrahedral (T) interstitial site and on the bond-centered (BC) site, with a maximum total occupancy after annealing at 400 °C. Whereas Er is expected to occupy the T site in a diamond crystal structure, the observation of BC Er in Ge is more surprising and believed to be related to the Er-vacancy defect in the split-vacancy complex configuration.
Tetrahedral-Mesh Simulation of Turbulent Flows with the Space-Time Conservative Schemes
Chang, Chau-Lyan; Venkatachari, Balaji; Cheng, Gary C.
2015-01-01
Direct numerical simulations of turbulent flows are predominantly carried out using structured, hexahedral meshes despite decades of development in unstructured mesh methods. Tetrahedral meshes offer ease of mesh generation around complex geometries and the potential of an orientation free grid that would provide un-biased small-scale dissipation and more accurate intermediate scale solutions. However, due to the lack of consistent multi-dimensional numerical formulations in conventional schemes for triangular and tetrahedral meshes at the cell interfaces, numerical issues exist when flow discontinuities or stagnation regions are present. The space-time conservative conservation element solution element (CESE) method - due to its Riemann-solver-free shock capturing capabilities, non-dissipative baseline schemes, and flux conservation in time as well as space - has the potential to more accurately simulate turbulent flows using unstructured tetrahedral meshes. To pave the way towards accurate simulation of shock/turbulent boundary-layer interaction, a series of wave and shock interaction benchmark problems that increase in complexity, are computed in this paper with triangular/tetrahedral meshes. Preliminary computations for the normal shock/turbulence interactions are carried out with a relatively coarse mesh, by direct numerical simulations standards, in order to assess other effects such as boundary conditions and the necessity of a buffer domain. The results indicate that qualitative agreement with previous studies can be obtained for flows where, strong shocks co-exist along with unsteady waves that display a broad range of scales, with a relatively compact computational domain and less stringent requirements for grid clustering near the shock. With the space-time conservation properties, stable solutions without any spurious wave reflections can be obtained without a need for buffer domains near the outflow/farfield boundaries. Computational results for the
Tetrahedral 1B4Sb nanoclusters in GaP:(B, Sb)
Elyukhin, V A, E-mail: elyukhin@cinvestav.m [Departamento de Ingenieria Electrica-SEES, CINVESTAV-IPN, Avenida IPN 2508, Col. San Pedro Zacatenco, C. P. 07360, Mexico, D. F. (Mexico)
2009-05-01
Self-assembling conditions of 1B4Sb tetrahedral nanoclusters in GaP doped with boron and Sb isoelectronic impurities are represented in the ultradilute and dilute limits of the boron and Sb contents, respectively. The fulfilled estimates demonstrated the preferential complete or almost complete allocation of boron atoms in 1B4Sb nanoclusters at temperatures of 500 {sup 0}C and 900 {sup 0}C, respectively. The significant decrease of the sum of the free energies of the constituent compounds is the main origin of self-assembling. The reduction of the strain energy is the additional cause of this phenomenon.
Palmesi, Pietro; Bruckner, Florian; Abert, Claas; Suess, Dieter
2016-01-01
The long-range magnetic field is the most time-consuming part in micromagnetic simulations. Improvements both on a numerical and computational basis can relief problems related to this bottleneck. This work presents an efficient implementation of the Fast Multipole Method [FMM] for the magnetic scalar potential as used in micromagnetics. We assume linearly magnetized tetrahedral sources, treat the near field directly and use analytical integration on the multipole expansion in the far field. This approach tackles important issues like the vectorial and continuous nature of the magnetic field. By using FMM the calculations scale linearly in time and memory.
A. Garmroodi Asil
2017-09-01
To further reduce the sulfur dioxide emission of the entire refining process, two scenarios of acid gas or air preheats are investigated when either of them is used simultaneously with the third enrichment scheme. The maximum overall sulfur recovery efficiency and highest combustion chamber temperature is slightly higher for acid gas preheats but air preheat is more favorable because it is more benign. To the best of our knowledge, optimization of the entire GTU + enrichment section and SRU processes has not been addressed previously.
Gangarapu, S.; Pujari, S.P.; Alon, H.; Rijksen, B.M.G.; Sukenik, C.N.; Zuilhof, H.
2015-01-01
We investigate herein whether the reactivity and surface coverage of 1-alkenes toward hydrogen-terminated Si(111) surfaces [H-Si(111)] can be improved by introducing heteroatoms such as oxygen and sulfur at the a-position next to the alkene functional group. To this end, the reactivity of 1-pentene,
Koten, G. van; Donkervoort, J.G.; Vicario, J.L.; Rijnberg, E.; Jastrzebski, J.T.B.H.; Kooijman, H.; Spek, A.L.
1998-01-01
The heteroatom assisted lithiation of 1, 3-bis[1-(dimethylamino)ethyl]benzene with n-BuLi afforded 2,6-bis[1-(dimethylamino)ethyl]phenyllithium. An X-ray crystal structure determination revealed a dimeric aggregate in which the four benzylic chiral centers are identical, pointing to stereoselective
Algebraic curves of maximal cyclicity
Caubergh, Magdalena; Dumortier, Freddy
2006-01-01
The paper deals with analytic families of planar vector fields, studying methods to detect the cyclicity of a non-isolated closed orbit, i.e. the maximum number of limit cycles that can locally bifurcate from it. It is known that this multi-parameter problem can be reduced to a single-parameter one, in the sense that there exist analytic curves in parameter space along which the maximal cyclicity can be attained. In that case one speaks about a maximal cyclicity curve (mcc) in case only the number is considered and of a maximal multiplicity curve (mmc) in case the multiplicity is also taken into account. In view of obtaining efficient algorithms for detecting the cyclicity, we investigate whether such mcc or mmc can be algebraic or even linear depending on certain general properties of the families or of their associated Bautin ideal. In any case by well chosen examples we show that prudence is appropriate.
Neyrinck, Mark C
2015-01-01
We discuss an idealized model of halo formation, in which a collapsing halo node is tetrahedral, with a filament extruding from each of its four faces, and with a wall connecting each pair of filaments. In the model, filaments generally spin when they form, and the halo spins if and only if there is some rotation in filaments. This is the simplest-possible fully three-dimensional halo collapse in the 'origami approximation,' in which voids are irrotational, and the dark-matter sheet out of which dark-matter structures form is allowed to fold in position-velocity phase space, but not stretch (i.e., it cannot vary in density along a stream). Up to an overall scaling, the four filament directions, and only three other quantities, such as filament spins, suffice to determine all of the collapse's properties: the shape, mass, and spin of the halo; the densities per unit length and spins of all filaments; and masses per unit area of the walls. If the filaments are arranged regular-tetrahedrally, filament properties...
Neyrinck, Mark C.
2016-07-01
We discuss an idealized model of halo formation, in which a collapsing halo node is tetrahedral, with a filament extruding from each of its four faces, and with a wall connecting each pair of filaments. In the model, filaments generally spin when they form, and the halo spins if and only if there is some rotation in filaments. This is the simplest possible fully three-dimensional halo collapse in the `origami approximation', in which voids are irrotational, and the dark-matter sheet out of which dark-matter structures form is allowed to fold in position-velocity phase space, but not stretch (i.e. it cannot vary in density along a stream). Up to an overall scaling, the four filament directions, and only three other quantities, such as filament spins, suffice to determine all of the collapse's properties: the shape, mass, and spin of the halo; the densities per unit length and spins of all filaments; and masses per unit area of the walls. If the filaments are arranged regular-tetrahedrally, filament properties obey simple laws, reminiscent of angular-momentum conservation. The model may be most useful in understanding spin correlations between neighbouring galaxies joined by filaments; these correlations would give intrinsic alignments between galaxies, essential to understand for accurate cosmological weak-lensing measurements.
Relativistic theory of the Jahn-Teller effect: p-orbitals in tetrahedral and trigonal systems
Domcke, Wolfgang; Opalka, Daniel; Poluyanov, Leonid V.
2016-03-01
A relativistic generalization of Jahn-Teller theory is presented which includes spin-orbit coupling effects beyond low-order Taylor expansions in vibrational coordinates. For the example of a p-electron in tetrahedral and trigonal environments, the matrix elements of the Breit-Pauli spin-orbit-coupling operator are expressed in terms of the matrix elements of the electrostatic electronic potential. Employing expansions of the latter in invariant polynomials in symmetry-adapted nuclear coordinates, the spin-orbit induced Jahn-Teller coupling terms are derived for the T2 × (t2 + e) and (E + A) × (e + a) Jahn-Teller problems up to arbitrarily high orders. The linear G3/2 × (t2 + e) Jahn-Teller Hamiltonian of Moffitt and Thorson [Phys. Rev. 108, 1251 (1957)] for tetrahedral systems is generalized to higher orders in vibrational displacements. The Jahn-Teller Hamiltonians derived in the present work are useful for the interpolation and extrapolation of Jahn-Teller distorted potential-energy surfaces of molecules and complexes with heavy elements as well as for the calculation of vibronic spectra of such systems.
Homemdemello, Luiz S.
1992-01-01
An assembly planner for tetrahedral truss structures is presented. To overcome the difficulties due to the large number of parts, the planner exploits the simplicity and uniformity of the shapes of the parts and the regularity of their interconnection. The planning automation is based on the computational formalism known as production system. The global data base consists of a hexagonal grid representation of the truss structure. This representation captures the regularity of tetrahedral truss structures and their multiple hierarchies. It maps into quadratic grids and can be implemented in a computer by using a two-dimensional array data structure. By maintaining the multiple hierarchies explicitly in the model, the choice of a particular hierarchy is only made when needed, thus allowing a more informed decision. Furthermore, testing the preconditions of the production rules is simple because the patterned way in which the struts are interconnected is incorporated into the topology of the hexagonal grid. A directed graph representation of assembly sequences allows the use of both graph search and backtracking control strategies.
Rojas, Onofre, E-mail: ors@dex.ufla.br [Departamento de Ciencias Exatas, Universidade Federal de Lavras, 37200-000, Lavras-MG (Brazil); Strečka, Jozef [Department of Theoretical Physics and Astrophysics, Faculty of Science, P.J. Šafárik University, Park Angelinum 9, 040 01 Košice (Slovakia); Lyra, Marcelo L. [Instituto de Física, Universidade Federal de Alagoas, 57072-970, Maceio-AL (Brazil)
2013-05-03
The spin-1/2 Ising–Heisenberg tetrahedral chain is exactly solved using its local gauge symmetry (the total spin of the Heisenberg bonds is locally conserved) and the transfer-matrix approach. Exact results derived for spin–spin correlation functions are employed to obtain the frustration temperature. In addition, we have exactly calculated a concurrence quantifying thermal entanglement. It is shown that the frustration and threshold temperature coincide at sufficiently low temperatures, while they exhibit a very different behavior in the high-temperature region when tending towards completely different asymptotic limits. The threshold temperature additionally shows a notable reentrant behavior when it extends over a narrow temperature region above the classical ground state without any quantum correlations. -- Highlights: ► Using local gauge symmetry we solved the spin-1/2 Ising–Heisenberg tetrahedral chain. ► The frustration temperature was calculated using the correlation functions. ► Thermal entanglement, concurrence and threshold temperature were analyzed. ► The zero-field specific heat was exactly calculated and discussed.
Tetrahedral shape and surface density wave of $^{16}$O caused by $\\alpha$-cluster correlations
Kanada-En'yo, Yoshiko
2016-01-01
$\\alpha$-cluster correlations in the $0^+_1$ and $3^-_1$ states of $^{12}$C and $^{16}$O are studied using the method of antisymmetrized molecular dynamics, with which nuclear structures are described from nucleon degrees of freedom without assuming existence of clusters. The intrinsic states of $^{12}$C and $^{16}$O have triangle and tetrahedral shapes, respectively, because of the $\\alpha$-cluster correlations. These shapes can be understood as spontaneous symmetry breaking of rotational invariance, and the resultant surface density oscillation is associated with density wave (DW) caused by the instability of Fermi surface with respect to particle-hole correlations with the wave number $\\lambda=3$. $^{16}$O($0^+_1$) and $^{16}$O($3^-_1$) are regarded as a set of parity partners constructed from the rigid tetrahedral intrinsic state, whereas $^{12}$C($0^+_1$) and $^{12}$C($3^-_1$) are not good parity partners as they have triangle intrinsic states of different sizes with significant shape fluctuation because...
BOUNDEDNESS OF MAXIMAL SINGULAR INTEGRALS
CHEN JIECHENG; ZHU XIANGRONG
2005-01-01
The authors study the singular integrals under the Hormander condition and the measure not satisfying the doubling condition. At first, if the corresponding singular integral is bounded from L2 to itseff, it is proved that the maximal singu lar integral is bounded from L∞ to RBMO except that it is infinite μ-a.e. on Rd. A sufficient condition and a necessary condition such that the maximal singular integral is bounded from L2 to itself are also obtained. There is a small gap between the two conditions.
Bankole, Owolabi M; Achadu, Ojodomo J; Nyokong, Tebello
2017-03-01
This study reports the development of functional optical limiting materials composed of pristine graphene (GQDs), nitrogen-doped (NGQDs) and sulfur-nitrogen co-doped (SNGQDs) graphene quantum dots covalently linked to mono-amino substituted zinc phthalocyanine (Pc). Open aperture Z-scan technique was employed to monitor the behaviour of the conjugates under tightly focussed Gaussian laser beam using a mode-locked Nd:YAG laser delivering 10 nanosecond (FWHM) pulses at 532 nm wavelength. Nonlinear effect due to reverse saturable absorption was the predominant mechanism; and was attributed to the moderately enhanced triplet population. The major factor(s) responsible for the enhanced nonlinearities in the Pc-NGQDs and Pc-SNGQDs was fully described and attributed to the surface defects caused by the presence of heteroatoms of N and S.
Understanding maximal repetitions in strings
Crochemore, Maxime
2008-01-01
The cornerstone of any algorithm computing all repetitions in a string of length n in O(n) time is the fact that the number of runs (or maximal repetitions) is O(n). We give a simple proof of this result. As a consequence of our approach, the stronger result concerning the linearity of the sum of exponents of all runs follows easily.
李萍; 熊勇; 芶清泉; 张建平
2002-01-01
We propose the formation mechanism of the body-centred regular tetrahedral structure of the He+5 cluster. The total energy curve for this structure has been calculated by using a modified arrangement channel quantum mechanics method. The result shows that a minimal energy of -13.9106 a.u. occurs at a separation of 1.14a0 between the nucleus at the centre and nuclei at the apexes. Therefore we obtain the binding energy of 0.5202 a.u. for this structure. This means that the He+5 cluster may be stable with a high binding energy in a body-centred regular tetrahedral structure.
Supported Tetrahedral Oxo-Sn Catalyst: Single Site, Two Modes of Catalysis
Beletskiy, Evgeny V.; Hou, Xianliang; Shen, Zhongliang; Gallagher, James R.; Miller, Jeffrey T.; Wu, Yuyang; Li, Tiehu; Kung, Mayfair C.; Kung, Harold H.
2016-03-17
Mild calcination in ozone of a (POSS)-Sn- (POSS) complex grafted on silica generated a heterogenized catalyst that mostly retained the tetrahedral coordination of its homogeneous precursor, as evidenced by spectroscopic characterizations using EXAFS, NMR, UV-vis, and DRIFT. The Sn centers are accessible and uniform and can be quantified by stoichiometric pyridine poisoning. This Sn-catalyst is active in hydride transfer reactions as a typical solid Lewis acid. However, the Sn centers can also create Brønsted acidity with alcohol by binding the alcohol strongly as alkoxide and transferring the hydroxyl H to the neighboring Sn-O-Si bond. The resulting acidic silanol is active in epoxide ring opening and acetalization reactions.
A Parallel Algorithm for Adaptive Local Refinement of Tetrahedral Meshes Using Bisection
LinBo Zhang
2009-01-01
Local mesh refinement is one of the key steps in the implementations of adaptive finite element methods. This paper presents a parallel algorithm for distributed memory parallel computers for adaptive local refinement of tetrahedral meshes using bisection. This algorithm is used in PHG, Parallel Hierarchical Grid (http: //lsec. cc. ac. cn/phg/J, a toolbox under active development for parallel adaptive finite element solutions of partial differential equations. The algorithm proposed is characterized by allowing simultaneous refinement of submeshes to arbitrary levels before synchronization between submeshes and without the need of a central coordinator process for managing new vertices. Using the concept of canonical refinement, a simple proof of the independence of the resulting mesh on the mesh partitioning is given, which is useful in better understanding the behaviour of the bisectioning refinement procedure.AMS subject classifications: 65Y05, 65N50
Dabiri, Zohreh; Kazempour, Ali; Sadeghzadeh, Mohammad Ali
2016-11-01
The strength of phonon anharmonicity is investigated in the framework of the Density Functional Perturbation Theory via an applied constant electric field. In contrast to routine approaches, we have employed the electric field as an effective probe to quest after the quasi-harmonic and anharmonic effects. Two typical tetrahedral semiconductors (diamond and silicon) have been selected to test the efficiency of this approach. In this scheme the applied field is responsible for establishing the perturbation and also inducing the anharmonicity in systems. The induced polarization is a result of changing the electronic density while ions are located at their ground state coordinates or at a specified strain. Employing this method, physical quantities of the semiconductors are calculated in presence of the electron-phonon interaction directly and, phonon-phonon interaction, indirectly. The present approach, which is in good agreement with previous theoretical and experimental studies, can be introduced as a benchmark to simply investigate the anharmonicity and pertinent consequences in materials.
Note on maximal distance separable codes
YANG Jian-sheng; WANG De-xiu; JIN Qing-fang
2009-01-01
In this paper, the maximal length of maximal distance separable(MDS)codes is studied, and a new upper bound formula of the maximal length of MDS codes is obtained. Especially, the exact values of the maximal length of MDS codes in some parameters are given.
Maximization, learning, and economic behavior.
Erev, Ido; Roth, Alvin E
2014-07-22
The rationality assumption that underlies mainstream economic theory has proved to be a useful approximation, despite the fact that systematic violations to its predictions can be found. That is, the assumption of rational behavior is useful in understanding the ways in which many successful economic institutions function, although it is also true that actual human behavior falls systematically short of perfect rationality. We consider a possible explanation of this apparent inconsistency, suggesting that mechanisms that rest on the rationality assumption are likely to be successful when they create an environment in which the behavior they try to facilitate leads to the best payoff for all agents on average, and most of the time. Review of basic learning research suggests that, under these conditions, people quickly learn to maximize expected return. This review also shows that there are many situations in which experience does not increase maximization. In many cases, experience leads people to underweight rare events. In addition, the current paper suggests that it is convenient to distinguish between two behavioral approaches to improve economic analyses. The first, and more conventional approach among behavioral economists and psychologists interested in judgment and decision making, highlights violations of the rational model and proposes descriptive models that capture these violations. The second approach studies human learning to clarify the conditions under which people quickly learn to maximize expected return. The current review highlights one set of conditions of this type and shows how the understanding of these conditions can facilitate market design.
Filgueiras, Carlos A. L.; Carazza, Fernando
1980-01-01
Discusses procedures, theoretical considerations, and results of an experiment involving the preparation of a tetrahedral nickel(II) complex and its transformation into an octahedral species. Suggests that fundamental aspects of coordination chemistry can be demonstrated by simple experiments performed in introductory level courses. (Author/JN)
Schoedel, Alexander
2013-02-10
The self-assembly of triangular, tetrahedral, and trigonal-prismatic molecular building blocks affords the first example of a trinodal family of metal-organic materials. Four examples of isoreticular expanded and functionalized frameworks are detailed. Gas adsorption experiments validated the permanent porosity of the parent structure. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
The role of fcc tetrahedral subunits in the phase behavior of medium sized Lennard-Jones clusters.
Saika-Voivod, Ivan; Poon, Louis; Bowles, Richard K
2010-08-21
The free energy of a 600-atom Lennard-Jones cluster is calculated as a function of surface and bulk crystallinity in order to study the structural transformations that occur in the core of medium sized clusters. Within the order parameter range studied, we find the existence of two free energy minima at temperatures near freezing. One minimum, at low values of both bulk and surface order, belongs to the liquid phase. The second minimum exhibits a highly ordered core with a disordered surface and is related to structures containing a single fcc-tetrahedral subunit, with an edge length of seven atoms (l=7), located in the particle core. At lower temperatures, a third minimum appears at intermediate values of the bulk order parameter which is shown to be related to the formation of multiple l=6 tetrahedra in the core of the cluster. We also use molecular dynamics simulations to follow a series of nucleation events and find that the clusters freeze to structures containing l=5, 6, 7, and 8 sized tetrahedra as well as those containing no tetrahedral units. The structural correlations between bulk and surface order with the size of the tetrahedral units in the cluster core are examined. Finally, the relationships between the formation of fcc tetrahedral subunits in the core, the phase behavior of medium sized clusters and the nucleation of noncrystalline global structures such as icosahedra and decahedra are discussed.
Orbital Calculations of Kaolinite Surface:on Substitution of Al3+ for Si4+ in the Tetrahedral Sites
无
2007-01-01
The surface properties of kaolinite were determined using density functional theory discrete variational method (DFT-DVM) and Gaussian 03 program. A SiO4 tetrahedral hexagonal ring with two Al octahedra was chosen to model the kaolinite crystal. The total density of states of the kaolinite cluster are located near the Fermi level at both sides of the Fermi level. Both the highest occupied molecular orbit(HOMO) and the lowest unoccupied molecular orbit (LUMO) of kaolinite indicate that kaolinite system can not only readily interact with electron-acceptor species, but also readily interact with electron-donor species on the edge surface and the gibbsite layer surface, and thus, shows amphoteric behavior. Substitution of Al3+ for Si4+ in the tetrahedral site linking the vacant Al3+ octahedra does not increase the surface chemical reactivity of kaolinite, while substitution of Al3+ for Si4+ in the tetrahedral site with the apex O linking Al3+ octahedra increase the surface chemical reactivity of the siloxane surface of kaolinite, especially acting as electron donors.Additionally, substitution of Al3+ for Si4+ in the tetrahedral site results in the re-balance of charges, leading to the increase of negative charge of the coordinated O atoms of the AlO4 tetrahedra, and therefore favoring the formation of ionic bonds between cations and the surface O atoms in the basal plane.
Jun-bo Li; Xiang-Lin Yu; Jing Fu; Xiwen Liu; Yang Zeng
2010-11-01
In this study, a novel tetrahedral molecule TPPY was successfully designed and synthesized. The self-assembly of TPPY with gold nanoparticles (Au NPs) in toluene has also been investigated. The aggregation morphologies of Au NPs can be controlled to produce different aggregate structures by changing the concentration of ligand TPPY.
Heteroatom incorporation effect in σ- and π-electron systems: the sEDA(II) and pEDA(II) descriptors.
Mazurek, Andrzej; Dobrowolski, Jan Cz
2012-03-16
The effect of heteroatom or heteroatomic group incorporation into unsaturated five- and six-membered cyclic systems was studied by means of DFT/B3LYP/aug-cc-pVDZ calculations. Two descriptors of the incorporation effect, sEDA(II) and pEDA(II), reflecting the influence of the incorporated atom or group on the population of the σ and π valence electrons, were constructed on the basis of natural bond orbital analysis. The sEDA(II) and pEDA(II) descriptors were shown to be linearly independent; the former correlated very well with electronegativity scales, whereas the latter correlated with NICS(1)(ZZ) and HOMA(CC) aromaticity indices. The two descriptors seem to be universal tools for analyzing different chemical and physicochemical effects occurring in unsaturated heterocyclic systems.
Asymptotics of robust utility maximization
Knispel, Thomas
2012-01-01
For a stochastic factor model we maximize the long-term growth rate of robust expected power utility with parameter $\\lambda\\in(0,1)$. Using duality methods the problem is reformulated as an infinite time horizon, risk-sensitive control problem. Our results characterize the optimal growth rate, an optimal long-term trading strategy and an asymptotic worst-case model in terms of an ergodic Bellman equation. With these results we propose a duality approach to a "robust large deviations" criterion for optimal long-term investment.
Multivariate residues and maximal unitarity
Søgaard, Mads; Zhang, Yang
2013-12-01
We extend the maximal unitarity method to amplitude contributions whose cuts define multidimensional algebraic varieties. The technique is valid to all orders and is explicitly demonstrated at three loops in gauge theories with any number of fermions and scalars in the adjoint representation. Deca-cuts realized by replacement of real slice integration contours by higher-dimensional tori encircling the global poles are used to factorize the planar triple box onto a product of trees. We apply computational algebraic geometry and multivariate complex analysis to derive unique projectors for all master integral coefficients and obtain compact analytic formulae in terms of tree-level data.
Beeping a Maximal Independent Set
Afek, Yehuda; Alon, Noga; Bar-Joseph, Ziv; Cornejo, Alejandro; Haeupler, Bernhard; Kuhn, Fabian
2012-01-01
We consider the problem of computing a maximal independent set (MIS) in an extremely harsh broadcast model that relies only on carrier sensing. The model consists of an anonymous broadcast network in which nodes have no knowledge about the topology of the network or even an upper bound on its size. Furthermore, it is assumed that an adversary chooses at which time slot each node wakes up. At each time slot a node can either beep, that is, emit a signal, or be silent. At a particular time slot...
Maximal Congruences on Some Semigroups
Jintana Sanwong; R.P. Sullivan
2007-01-01
In 1976 Howie proved that a finite congruence-free semigroup is a simple group if it has at least three elements but no zero elementInfinite congruence-free semigroups are far more complicated to describe, but some have been constructed using semigroups of transformations (for example, by Howie in 1981 and by Marques in 1983)Here, forcertain semigroups S of numbers and of transformations, we determine all congruences p on S such that S/p is congruence-free, that is, we describe all maximal congruences on such semigroups S.
Asefa, Tewodros
2016-09-20
The large-scale deployment of many types of fuel cells and electrolyzers is currently constrained by the lack of sustainable and efficient catalysts that can replace the less earth-abundant, noble metal-based catalysts, which are commonly used in these renewable energy systems. This burgeoning issue has led to explosive research efforts worldwide to find alternative, metal-free and noble metal-free catalysts that are composed of inexpensive and earth-abundant elements. Hence, the recent discoveries that doping carbon nanomaterials with heteroatoms (such as N, S, B, etc.) can give sustainable materials with good electrocatalytic activity for reactions carried out in fuel cells and electrolyzers have been not only quite exciting but also very promising to address these challenging issues. Interestingly, even though they contain no metals or involve only the inexpensive, more earth-abundant ones, the catalytic activity of some of these materials fares well with those of the commercially used noble metal-based electrocatalysts, such as Pt/C. However, research efforts to improve the catalytic activity, selectivity, and stability of some of these materials for various reactions are still necessary and thus continuing. While some of these efforts have focused on finding synthetic methods that can tune the structures and compositions of already known materials and thereby improve their catalytic properties (activity, selectivity, stability, etc.), others have focused on developing entirely new materials that can exhibit better or superior catalytic properties. In these efforts, additional considerations are also being paid to find facile synthetic routes or renewable and inexpensive precursors that can lead to such types of catalysts in order to make the entire process highly sustainable and widely applicable. In this Account, notable heteroatom-doped carbon catalysts that have been developed for reactions in fuel cells and water electrolyzers, the various synthetic
Kazuo Nagasawa
2003-06-01
Full Text Available Vitamin D3 and its synthetic analogs are promising compounds for controlling various types of cell differentiation. In this article, we describe the synthesis of novel vitamin D3 analogs containing heteroatoms in their side chains Ã¢Â€Â“ so-called vitamin D3 lactam analogs Ã¢Â€Â“ via 1,3-dipolar cycloaddition reaction as a key step.
杂原子分子筛的合成与应用的研究进展%Advances in synthesis and application of heteroatom-containing zeolites
杜周; 李保山
2016-01-01
综述了采用后处理法和直接合成法制备的杂原子改性分子筛的优缺点及研究进展，并介绍了改进的直接合成法的特点及利用该方法制备的杂原子分子筛的应用情况。认为合成独特性质的杂原子层状分子筛已成为新的研究热点，而将分子筛与其他材料（如蒙脱土、氧化铝、水滑石和介孔氧化硅等）结合后形成复合材料也成为杂原子改性的一个方向。%The characteristics and signifi cance of heteroatom-containing zeolites were introduced, and two main methods for synthesizing the heteroatom-containing zeolites including Post-Synthetic treatment method and Direct Synthesis method were summarized in detail,and their merits and demerits were analyzed in this paper. The improved Direct Synthesis method and the application of the zeolites prepared through the method were discussed. The present research situation for the heteroatom-containing zeolites was reviewed,the synthesis of delaminated zeolites with unique properties would be a hot spot and composite materials formed by the integration of zeolites and other materials like montmorillonite,alumina,hydrotalcite and mesoporous silica would be one direction for the modifi cation of zeolites with heteroatoms.
Niklasson, Ida B; Delaine, Tamara; Luthman, Kristina; Karlberg, Ann-Therese
2011-04-18
Epoxy resins are among the most common causes of occupational contact dermatitis. They are normally used in so-called epoxy resin systems (ERS). These commercial products are combinations of epoxy resins, curing agents, modifiers, and reactive diluents. The most frequently used resins are diglycidyl ethers based on bisphenol A (DGEBA) and bisphenol F (DGEBF). In this study, we have investigated the contact allergenic properties of a series of analogues to the reactive diluent phenyl glycidyl ether (PGE), all with similar basic structures but with varying heteroatoms or with no heteroatom present. The chemical reactivity of the compounds in the test series toward the hexapeptide H-Pro-His-Cys-Lys-Arg-Met-OH was investigated. All epoxides were shown to bind covalently to both cysteine and proline residues. The percent depletion of nonreacted peptide was also studied resulting in ca. 60% depletion when using either PGE, phenyl 2,3-epoxypropyl sulfide (2), or N-(2,3-epoxypropyl)aniline (3), and only 15% when using 1,2-epoxy-4-phenylbutane (4) at the same time point. The skin sensitization potencies of the epoxides using the murine local lymph node assay (LLNA) were evaluated in relation to the observed physicochemical and reactivity properties. To enable determination of statistical significance between structurally closely related compounds, a nonpooled LLNA was performed. It was found that all investigated compounds containing a heteroatom in the α-position to the epoxide were strong sensitizers, congruent with the reactivity data, indicating that the impact of a heteroatom is crucial for the sensitizing capacity for this type of epoxides.
Knowledge discovery by accuracy maximization.
Cacciatore, Stefano; Luchinat, Claudio; Tenori, Leonardo
2014-04-01
Here we describe KODAMA (knowledge discovery by accuracy maximization), an unsupervised and semisupervised learning algorithm that performs feature extraction from noisy and high-dimensional data. Unlike other data mining methods, the peculiarity of KODAMA is that it is driven by an integrated procedure of cross-validation of the results. The discovery of a local manifold's topology is led by a classifier through a Monte Carlo procedure of maximization of cross-validated predictive accuracy. Briefly, our approach differs from previous methods in that it has an integrated procedure of validation of the results. In this way, the method ensures the highest robustness of the obtained solution. This robustness is demonstrated on experimental datasets of gene expression and metabolomics, where KODAMA compares favorably with other existing feature extraction methods. KODAMA is then applied to an astronomical dataset, revealing unexpected features. Interesting and not easily predictable features are also found in the analysis of the State of the Union speeches by American presidents: KODAMA reveals an abrupt linguistic transition sharply separating all post-Reagan from all pre-Reagan speeches. The transition occurs during Reagan's presidency and not from its beginning.
Inapproximability of maximal strip recovery
Jiang, Minghui
2009-01-01
In comparative genomic, the first step of sequence analysis is usually to decompose two or more genomes into syntenic blocks that are segments of homologous chromosomes. For the reliable recovery of syntenic blocks, noise and ambiguities in the genomic maps need to be removed first. Maximal Strip Recovery (MSR) is an optimization problem proposed by Zheng, Zhu, and Sankoff for reliably recovering syntenic blocks from genomic maps in the midst of noise and ambiguities. Given $d$ genomic maps as sequences of gene markers, the objective of \\msr{d} is to find $d$ subsequences, one subsequence of each genomic map, such that the total length of syntenic blocks in these subsequences is maximized. For any constant $d \\ge 2$, a polynomial-time 2d-approximation for \\msr{d} was previously known. In this paper, we show that for any $d \\ge 2$, \\msr{d} is APX-hard, even for the most basic version of the problem in which all gene markers are distinct and appear in positive orientation in each genomic map. Moreover, we provi...
Maximal right smooth extension chains
Huang, Yun Bao
2010-01-01
If $w=u\\alpha$ for $\\alpha\\in \\Sigma=\\{1,2\\}$ and $u\\in \\Sigma^*$, then $w$ is said to be a \\textit{simple right extension}of $u$ and denoted by $u\\prec w$. Let $k$ be a positive integer and $P^k(\\epsilon)$ denote the set of all $C^\\infty$-words of height $k$. Set $u_{1},\\,u_{2},..., u_{m}\\in P^{k}(\\epsilon)$, if $u_{1}\\prec u_{2}\\prec ...\\prec u_{m}$ and there is no element $v$ of $P^{k}(\\epsilon)$ such that $v\\prec u_{1}\\text{or} u_{m}\\prec v$, then $u_{1}\\prec u_{2}\\prec...\\prec u_{m}$ is said to be a \\textit{maximal right smooth extension (MRSE) chains}of height $k$. In this paper, we show that \\textit{MRSE} chains of height $k$ constitutes a partition of smooth words of height $k$ and give the formula of the number of \\textit{MRSE} chains of height $k$ for each positive integer $k$. Moreover, since there exist the minimal height $h_1$ and maximal height $h_2$ of smooth words of length $n$ for each positive integer $n$, we find that \\textit{MRSE} chains of heights $h_1-1$ and $h_2+1$ are good candidates t...
Sun, Fugen; Cheng, Hongye; Chen, Jianzhuang; Zheng, Nan; Li, Yongsheng; Shi, Jianlin
2016-09-27
A reversible cathode material in an ether-based electrolyte for high-energy lithium batteries was successfully fabricated by homogeneously confining heteroatomic SenS8-n molecules into nitrogen-doped mesoporous carbons (NMCs) via a facile melt-impregnation route. The resultant SenS8-n/NMC composites exhibit highly reversible electrochemical behavior, where selenium sulfides are recovered through the reversible conversion of polysulfoselenide intermediates during discharge-charge cycles. The recovery of selenium sulfide molecules endows the SenS8-n/NMC cathodes with the rational integration of S and Se cathodes. Density functional theory calculations further reveal that heteroatomic selenium sulfide molecules with higher polarizability could bind more strongly with NMCs than homoatomic sulfur molecules, which provides more efficient suppression of the shuttling phenomenon. Therefore, with further assistance of mesopore confinement of the nitrogen-doped carbons, the Se2S6/NMC composite with an optimal Se/S mole ratio of 2/6 presents excellent cycle stability with a high initial Coulombic efficiency of 96.5% and a high reversible capacity of 883 mAh g(-1) after 100 cycles and 780 mAh g(-1) after 200 cycles at 250 mA g(-1). These encouraging results suggest that the heteroatomization of chalcogen (such as S, Se, or Te) molecules in mesostructured carbon hosts is a promising strategy in enhancing the electrochemical performances of chalcogen/carbon-based cathodes for Li batteries.
Ohno, Tsutomu; Ohno, Paul E
2013-04-01
Soil organic matter (SOM) is involved in many important ecosystem processes. Ultrahigh resolution mass spectrometry has become a powerful technique in the chemical characterization of SOM, allowing assignment of elemental formulae for thousands of peaks resolved in a typical mass spectrum. We investigated how the addition of N, S, and P heteroatoms in the formula calculation stage of the mass spectra processing workflow affected the formula assignments of mass spectra peaks. Dissolved organic matter extracted from plant biomass and soil as well as the soil humic acid fraction was studied. We show that the addition of S and P into the molecular formula calculation increased peak assignments on average by 17.3 % and 10.7 %, respectively, over the assignments based on the CHON elements frequently reported by SOM researchers using ultrahigh resolution mass spectrometry. The organic matter chemical characteristics as represented by van Krevelen diagrams were appreciably affected by differences in the heteroatom pre-selection for the three organic matter samples investigated, especially so for the wheat-derived dissolved organic matter. These results show that inclusion of both S and P heteroatoms into the formula calculation step, which is not routinely done, is important to obtain a more chemically complete interpretation of the ultrahigh resolution mass spectra of SOM.
Enhanced methanol electro-oxidation activity of PtRu catalysts supported on heteroatom-doped carbon
Wu Gang [Department of Applied Chemistry, Harbin Institute of Technology, Harbin 150001 (China)], E-mail: wugang@lanl.gov; Swaidan, Raja [Department of Chemical Engineering, Cooper Union, New York, NY 10003 (United States); Li Deyu; Li Ning [Department of Applied Chemistry, Harbin Institute of Technology, Harbin 150001 (China)
2008-11-01
A typical heteroatom (nitrogen)-doped carbon materials were successfully synthesized through the carbonization of a hybrid containing traditional carbon black covered by in situ polymerized polyaniline. The nitrogen content onto carbon can be adjusted up to 5.1 at.% by changing the coverage of polyaniline. The effects of nitrogen doping on the surface physical and electrochemical properties of carbon were studied using XPS, XRD and HRTEM, as well as CV and EIS techniques. With increasing nitrogen doping, the carbon structure became more compact, showing curvatures and dislocations in the graphene stacking. The nitrogen-doped carbon also exhibited a higher accessible surface area in electrochemical reactions, and a lower charge transfer resistance at the carbon/electrolyte interface. Moreover, to investigate the influence of nitrogen doping on the electrocatalytic activity of the PtRu/C catalyst, comparisons in CO stripping and methanol oxidation were carried out on PtRu catalysts supported by non-doped and nitrogen-doped carbon. Since the promotional roles of nitrogen doping, including the high electrochemically accessible surface area, the richness of the disordered nanostructures and defects, and the high electron density on N-doped carbon supports, contribute to the synthesis of well-dispersed PtRu particles with high Pt utilization and stronger metal-support interactions, an enhanced catalytic activity for methanol oxidation was obtained in the case of the PtRu/N-C catalyst in comparison with the traditional PtRu/C catalyst.
Enhanced methanol electro-oxidation activity of PtRu catalysts supported on heteroatom-doped carbon
Wu, Gang; Li, Deyu; Li, Ning [Department of Applied Chemistry, Harbin Institute of Technology, Harbin 150001 (China); Swaidan, Raja [Department of Chemical Engineering, Cooper Union, New York, NY 10003 (United States)
2008-11-01
A typical heteroatom (nitrogen)-doped carbon materials were successfully synthesized through the carbonization of a hybrid containing traditional carbon black covered by in situ polymerized polyaniline. The nitrogen content onto carbon can be adjusted up to 5.1 at.% by changing the coverage of polyaniline. The effects of nitrogen doping on the surface physical and electrochemical properties of carbon were studied using XPS, XRD and HRTEM, as well as CV and EIS techniques. With increasing nitrogen doping, the carbon structure became more compact, showing curvatures and dislocations in the graphene stacking. The nitrogen-doped carbon also exhibited a higher accessible surface area in electrochemical reactions, and a lower charge transfer resistance at the carbon/electrolyte interface. Moreover, to investigate the influence of nitrogen doping on the electrocatalytic activity of the PtRu/C catalyst, comparisons in CO stripping and methanol oxidation were carried out on PtRu catalysts supported by non-doped and nitrogen-doped carbon. Since the promotional roles of nitrogen doping, including the high electrochemically accessible surface area, the richness of the disordered nanostructures and defects, and the high electron density on N-doped carbon supports, contribute to the synthesis of well-dispersed PtRu particles with high Pt utilization and stronger metal-support interactions, an enhanced catalytic activity for methanol oxidation was obtained in the case of the PtRu/N-C catalyst in comparison with the traditional PtRu/C catalyst. (author)
Jiao, Yan; Zheng, Yao; Davey, Kenneth; Qiao, Shi-Zhang
2016-10-01
The hydrogen evolution reaction (HER) is a fundamental process in electrocatalysis and plays an important role in energy conversion through water splitting to produce hydrogen. Effective candidates for HER are often based on noble metals or transition metal dichalcogenides, while carbon-based metal-free electrocatalysts generally demonstrate poorer activity. Here we report evaluation of a series of heteroatom-doped graphene materials as efficient HER electrocatalysts by combining spectroscopic characterization, electrochemical measurements, and density functional theory calculations. Results of theoretical computations are shown to be in good agreement with experimental observations regarding the intrinsic electrocatalytic activity and the HER reaction mechanism. As a result, we establish a HER activity trend for graphene-based materials, and explore their reactivity origin to guide the design of more efficient electrocatalysts. We predict that by rationally modifying particular experimentally achievable physicochemical characteristics, a practically realizable graphene-based material will have the potential to exceed the performance of the metal-based benchmark for HER.
Bezergianni, Stella; Dimitriadis, Athanasios; Kalogianni, Aggeliki; Pilavachi, Petros A
2010-09-01
Hydrotreating of waste cooking oil (WCO) was studied as a process for biofuels production. The hydrotreatment temperature is the most dominant operating parameter which defines catalyst performance as well as catalyst life. In this analysis, a hydrotreating temperature range of 330-398 degrees C was explored via a series of five experiments (330, 350, 370, 385 and 398 degrees C). Several parameters were considered for evaluating the effect of temperature including product yields, conversion, selectivity (diesel and gasoline), heteroatom removal (sulfur, nitrogen and oxygen) and saturation of double bonds. For all experiments the same commercial hydrotreating catalyst was utilized, while the remaining operating parameters were constant (pressure=1200 psig, LHSV=1.0 h(-1), H(2)/oil ratio=4000 scfb, liquid feed=0.33 ml/min and gas feed=0.4 scfh). It was observed that higher reactor temperatures are more attractive when gasoline production is of interest, while lower reaction temperatures are more suitable when diesel production is more important.
Kurouchi, Hiroaki; Sumita, Akinari; Otani, Yuko; Ohwada, Tomohiko
2014-07-07
We found that phenethylcarbamates that bear ortho-salicylate as an ether group (carbamoyl salicylates) dramatically accelerate OC bond dissociation in strong acid to facilitate generation of isocyanate cation (N-protonated isocyanates), which undergo subsequent intramolecular aromatic electrophilic cyclization to give dihydroisoquinolones. To generate isocyanate cations from carbamates in acidic media as electrophiles for aromatic substitution, protonation at the ether oxygen, the least basic heteroatom, is essential to promote CO bond cleavage. However, the carbonyl oxygen of carbamates, the most basic site, is protonated exclusively in strong acids. We found that the protonation site can be shifted to an alternative basic atom by linking methyl salicylate to the ether oxygen of carbamate. The methyl ester oxygen ortho to the phenolic (ether) oxygen of salicylate is as basic as the carbamate carbonyl oxygen, and we found that monoprotonation at the methyl ester oxygen in strong acid resulted in the formation of an intramolecular cationic hydrogen bond (>CO(+) H⋅⋅⋅Ocarbamate afforded a rather stable dication, which did not readily undergo CO bond dissociation. This is an unprecedented and unknown case in which the monocation has greater reactivity than the dication. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Espinosa-Müller, A. W.; Bravo, A. N.
The force field method developed by Boyd is extended to include molecules containing atoms other than C and H (e.g., N, O, P, S, Cl, Br,…). A new set of force field parameters is determined in order to redefine the potential energy functions that govern the dynamics of the internal (valence coordinates) degrees of freedom of a molecule. It is shown that the minimum of the partial potential energy surface is significantly affected by electrostatic intramolecular interactions. In this regard the non-bonded interactions appears to be less important than the dipole-dipole type interactions for a given interatomic distance when heteroatoms are present in the molecular framework. The reliability of the extended method as regards minimized structure, vibrational spectra and thermodynamic properties has been checked for more than 20 polyatomic molecules. From the correlation between calculated and experimental properties it is concluded that the method has good potential for further applications on polyatomic molecules with increasing size and topological compexities such as adenine and uracil.
The maximal D = 4 supergravities
Wit, Bernard de [Institute for Theoretical Physics and Spinoza Institute, Utrecht University, Postbus 80.195, NL-3508 TD Utrecht (Netherlands); Samtleben, Henning [Laboratoire de Physique, ENS Lyon, 46 allee d' Italie, F-69364 Lyon CEDEX 07 (France); Trigiante, Mario [Dept. of Physics, Politecnico di Torino, Corso Duca degli Abruzzi 24, I-10129 Turin (Italy)
2007-06-15
All maximal supergravities in four space-time dimensions are presented. The ungauged Lagrangians can be encoded in an E{sub 7(7)}-Sp(56; R)/GL(28) matrix associated with the freedom of performing electric/magnetic duality transformations. The gauging is defined in terms of an embedding tensor {theta} which encodes the subgroup of E{sub 7(7)} that is realized as a local invariance. This embedding tensor may imply the presence of magnetic charges which require corresponding dual gauge fields. The latter can be incorporated by using a recently proposed formulation that involves tensor gauge fields in the adjoint representation of E{sub 7(7)}. In this formulation the results take a universal form irrespective of the electric/magnetic duality basis. We present the general class of supersymmetric and gauge invariant Lagrangians and discuss a number of applications.
Maximizing profit using recommender systems
Das, Aparna; Ricketts, Daniel
2009-01-01
Traditional recommendation systems make recommendations based solely on the customer's past purchases, product ratings and demographic data without considering the profitability the items being recommended. In this work we study the question of how a vendor can directly incorporate the profitability of items into its recommender so as to maximize its expected profit while still providing accurate recommendations. Our approach uses the output of any traditional recommender system and adjust them according to item profitabilities. Our approach is parameterized so the vendor can control how much the recommendation incorporating profits can deviate from the traditional recommendation. We study our approach under two settings and show that it achieves approximately 22% more profit than traditional recommendations.
The maximal D=5 supergravities
de Wit, Bernard; Trigiante, M; Wit, Bernard de; Samtleben, Henning; Trigiante, Mario
2007-01-01
The general Lagrangian for maximal supergravity in five spacetime dimensions is presented with vector potentials in the \\bar{27} and tensor fields in the 27 representation of E_6. This novel tensor-vector system is subject to an intricate set of gauge transformations, describing 3(27-t) massless helicity degrees of freedom for the vector fields and 3t massive spin degrees of freedom for the tensor fields, where the (even) value of t depends on the gauging. The kinetic term of the tensor fields is accompanied by a unique Chern-Simons coupling which involves both vector and tensor fields. The Lagrangians are completely encoded in terms of the embedding tensor which defines the E_6 subgroup that is gauged by the vectors. The embedding tensor is subject to two constraints which ensure the consistency of the combined vector-tensor gauge transformations and the supersymmetry of the full Lagrangian. This new formulation encompasses all possible gaugings.
Constraint Propagation as Information Maximization
Abdallah, A Nait
2012-01-01
Dana Scott used the partial order among partial functions for his mathematical model of recursively defined functions. He interpreted the partial order as one of information content. In this paper we elaborate on Scott's suggestion of regarding computation as a process of information maximization by applying it to the solution of constraint satisfaction problems. Here the method of constraint propagation can be interpreted as decreasing uncertainty about the solution -- that is, as gain in information about the solution. As illustrative example we choose numerical constraint satisfaction problems to be solved by interval constraints. To facilitate this approach to constraint solving we formulate constraint satisfaction problems as formulas in predicate logic. This necessitates extending the usual semantics for predicate logic so that meaning is assigned not only to sentences but also to formulas with free variables.
Slow magnetic relaxation at zero field in the tetrahedral complex [Co(SPh)4]2-.
Zadrozny, Joseph M; Long, Jeffrey R
2011-12-28
The Ph(4)P(+) salt of the tetrahedral complex [Co(SPh)(4)](2-), possessing an S = (3)/(2) ground state with an axial zero-field splitting of D = -70 cm(-1), displays single-molecule magnet behavior in the absence of an applied magnetic field. At very low temperatures, ac magnetic susceptibility data show the magnetic relaxation time, τ, to be temperature-independent, while above 2.5 K thermally activated Arrhenius behavior is apparent with U(eff) = 21(1) cm(-1) and τ(0) = 1.0(3) × 10(-7) s. Under an applied field of 1 kOe, τ more closely approximates Arrhenius behavior over the entire temperature range. Upon dilution of the complex within a matrix of the isomorphous compound (Ph(4)P)(2)[Zn(SPh)(4)], ac susceptibility data reveal the molecular nature of the slow magnetic relaxation and indicate that the quantum tunneling pathway observed at low temperatures is likely mediated by intermolecular dipolar interactions.
Prehna,G.; Stebbins, E.
2007-01-01
The Rho family of small GTPases represent well characterized signaling molecules that regulate many cellular functions such as actin cytoskeletal arrangement and the cell cycle by acting as molecular switches. A Rac1-GDP-Zn complex has been crystallized in space group P3{sub 2}21 and its crystal structure has been solved at 1.9 {angstrom} resolution. These trigonal crystals reveal the unexpected ability of Rac1 to coordinate Zn atoms in a tetrahedral fashion by use of its biologically relevant switch I and switch II regions. Upon coordination of zinc, the switch I region is stabilized in the GDP-bound conformation and contributes to a Rac1 trimer in the asymmetric unit. Zinc coordination causes switch II to adopt a novel conformation with a symmetry-related molecule. Additionally, zinc was found to displace magnesium from its octahedral coordination at switch I, although GDP binding remained stable. This structure represents the first reported Rac1-GDP-Zn complex, which further underscores the conformational flexibility and versatility of the small GTPase switch regions.
Prehna, G.; Stebbins, C
2007-01-01
The Rho family of small GTPases represent well characterized signaling molecules that regulate many cellular functions such as actin cytoskeletal arrangement and the cell cycle by acting as molecular switches. A Rac1-GDP-Zn complex has been crystallized in space group P3221 and its crystal structure has been solved at 1.9 {angstrom} resolution. These trigonal crystals reveal the unexpected ability of Rac1 to coordinate Zn atoms in a tetrahedral fashion by use of its biologically relevant switch I and switch II regions. Upon coordination of zinc, the switch I region is stabilized in the GDP-bound conformation and contributes to a Rac1 trimer in the asymmetric unit. Zinc coordination causes switch II to adopt a novel conformation with a symmetry-related molecule. Additionally, zinc was found to displace magnesium from its octahedral coordination at switch I, although GDP binding remained stable. This structure represents the first reported Rac1-GDP-Zn complex, which further underscores the conformational flexibility and versatility of the small GTPase switch regions.
Tetrahedral homonuclear organoelement clusters and subhalides of aluminium, gallium and indium
Uhl, Werner
This review is focused on the synthesis and the reactivity of tetrahedral organoelement clusters of the heavier elements of third main-group aluminium, gallium, and indium, which have been known for about a decade. They possess the elements in an unusually low oxidation state of +1 and have direct element-element interactions between their four constituents. Each cluster atom is further attached to one terminal and in most cases a bulky organic substituent, which prevents disproportionation by steric shielding. The synthesis of these compounds succeeds by different methods such as the reduction of suitable organoelement(III) halides with alkali metals and magnesium or the treatment of element(I) halides with lithium organyls. They are deeply coloured, and their bonding situation may best be described by delocalized molecular orbitals. They show a singular chemical reactivity, which results in the formation of many secondary products possessing unprecedented structures and properties. The synthesis of organoelement subhalides still containing the elements in low oxidation states is discussed in more detail in the second part of this review. These compounds are easily accessible by the careful oxidation of the clusters with halogen donors such as hexachloroethane or with AlX3/X2 mixtures. They produce dimers via halogen bridges, but in certain cases monomers were observed even for the solid state. They are very effective starting compounds for secondary reactions and the generation of new products containing the elements in unusual oxidation states by salt-elimination reactions, for instance.
Vibrations of tetrahedral Co and Cu clusters on a Cu(111) surface
Borisova, Svetlana D.; Rusina, Galina G. [Institute of Strength Physics and Materials Science SB RAS, pr. Akademichesky 2/4, 634021 Tomsk (Russian Federation); Eremeev, Sergey V. [Institute of Strength Physics and Materials Science SB RAS, pr. Akademichesky 2/4, 634021 Tomsk (Russian Federation); Tomsk State University, pr. Lenina 36, 634050 Tomsk (Russian Federation); Donostia International Physics Center (DIPC), Paseo Manuel de Lardizabal, 4, 20018 San Sebastian/Donostia (Spain); Chulkov, Evgueni V. [Donostia International Physics Center (DIPC), Paseo Manuel de Lardizabal, 4, 20018 San Sebastian/Donostia (Spain); Depto. de Fisica de Materiales and Centro de Fisica de Materiales - CFM (CSIS-UPV/EHU), Facultad de Ciencias Quimicas, Universidad del Pais Vasco/Euskal Herriko Unibertsitatea, Apdo. 1072, 20018 San Sebastian/Donostia (Spain)
2010-11-15
Vibrational properties of tetrahedral clusters of Cu and Co on the Cu(111) surface are studied by using interatomic interaction potentials constructed within tight-binding second moment approximation. It was shown that interaction of the Co{sub 4} and Cu{sub 4} clusters with the substrate leads to arising of frustrated translation and frustrated rotation in-plane polarized vibrational modes localized on the cluster atoms. The vibrational modes of the free Cu{sub 4} cluster upon its adsorption on the Cu(111) surface mix with Cu bulk phonons and become almost delocalized. Contrary to that, in the Co{sub 4} cluster on the surface the high frequency modes remain strongly localized and mixed with the nearest neighbor atoms vibrations. The highest frequency vibration of the Co{sub 4} cluster splits due to different interaction with certain groups of nearest neighbor atoms (copyright 2010 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)
Birnbaum, G.; Borysow, A.; Buechele, A.
1993-01-01
The far infrared absorption of a CH4-N2 mixture was measured at 297, 195, and 162 K from 30 to 650/cm. The spectral invariants gamma1 and alpha1, proportional, respectively, to the zeroth and first spectral moments, due to bimolecular collisions between CH4 and N2 were obtained from these data and compared with theoretical values. The theory for collision-induced dipoles between a tetrahedral and a diatomic or symmetrical linear molecule includes contributions not previously considered. Whereas the theoretical values of gamma1 are only somewhat greater than experiment at all temperatures, the theoretical values of alpha1 are significantly lower than the experimental values. From the theoretical spectral moments for the various induced dipole components, the parameters of the BC shape were computed, and theoretical spectra were constructed. Good agreement was obtained at the lower frequencies, but with increasing frequencies the theoretical spectra were increasingly less intense than the experimental spectra. Although the accuracy of the theoretical results may suffer from the lack of a reliable potential function, it does not appear that this high frequency discrepancy can be removed by any conceivable modification in the potential.
Boutchko, Rostyslav; Reutter, Bryan; Gullberg, Grant T. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
2011-07-01
Irregular tetrahedral meshes based on adaptively distributed point clouds are used as the object space data representation method to reconstruct SPECT images in pinhole geometry. In the object space, a tetrahedron is defined by the positions and intensities of its four vertices; image intensity inside a tetrahedron is a linear combination of the vertex intensities. For the parallel projection geometry, the projection of a tetrahedron is conveniently expressed in terms of an integral that is solved analytically. For the pinhole case, the vertices are first projected onto the detector plane and the geometric magnification factor is computed. Then, a virtual tetrahedron is formed in the detector space and projected onto the detector using exact analytical formulae developed for the parallel geometry. In order to compute the system matrix, point cloud geometry and acquisition geometry is adjusted using geometric calibration expressed in terms of 24 parameters determined from a special calibration study. The 3D images are reconstructed using a standard MLEM algorithm. Initial reconstruction is performed on a uniform finely-spaced cloud. Then, the points are adaptively removed or merged in constant intensity regions and moved to better outline the boundaries. The density of the point cloud is adjusted adaptively after each reconstruction so that the number of unknowns in the inverse problem is reduced by an order of magnitude. (orig.)
Lu, Qingzhang; Shen, Guoli; Yu, Ruqin
2002-11-15
The chaotic dynamical system is introduced in genetic algorithm to train ANN to formulate the CGANN algorithm. Logistic mapping as one of the most important chaotic dynamic mappings provides each new generation a high chance to hold GA's population diversity. This enhances the ability to overcome overfitting in training an ANN. The proposed CGANN has been used for QSAR studies to predict the tetrahedral modes (nu(1)(A1) and nu(2)(E)) of halides [MX(4)](epsilon). The frequencies predicted by QSAR were compared with those calculated by quantum chemistry methods including PM3, AM1, and MNDO/d. The possibility of improving the predictive ability of QSAR by including quantum chemistry parameters as feature variables has been investigated using tetrahedral tetrahalide examples.
Gálisová, Lucia, E-mail: galisova.lucia@gmail.com [Department of Applied Mathematics and Informatics, Faculty of Mechanical Engineering, Technical University, Letná 9, 042 00 Košice (Slovakia); Strečka, Jozef, E-mail: jozef.strecka@upjs.sk [Department of Theoretical Physics and Astrophysics, Faculty of Science, P.J. Šafárik University, Park Angelinum 9, 040 01 Košice (Slovakia)
2015-10-16
Magnetocaloric effect in a double-tetrahedral chain, in which nodal lattice sites occupied by the localized Ising spins regularly alternate with three equivalent lattice sites available for mobile electrons, is exactly investigated by considering the one-third electron filling and the ferromagnetic Ising exchange interaction between the mobile electrons and their nearest Ising neighbours. The entropy and the magnetic Grüneisen parameter, which closely relate to the magnetocaloric effect, are exactly calculated in order to investigate the relation between the ground-state degeneracy and the cooling efficiency of the hybrid spin–electron system during the adiabatic demagnetization. - Highlights: • A double-tetrahedral chain of mobile electrons and localized Ising spins is studied. • Magnetic Grüneisen parameter for the system is exactly derived. • Macroscopically degenerate phases FRU and FM constitute the ground state. • MCE is three times higher nearby FRU–FM transition than in FRU phase at small fields.
Synthesis of tetrahedral quasi-type-II CdSe-CdS core-shell quantum dots.
Sugunan, Abhilash; Zhao, Yichen; Mitra, Somak; Dong, Lin; Li, Shanghua; Popov, Sergei; Marcinkevicius, Saulius; Toprak, Muhammet S; Muhammed, Mamoun
2011-10-21
Synthesis of colloidal nanocrystals of II-VI semiconductor materials has been refined in recent decades and their size dependent optoelectronic properties have been well established. Here we report a facile synthesis of CdSe-CdS core-shell heterostructures using a two-step hot injection process. Red-shifts in absorption and photoluminescence spectra show that the obtained quantum dots have quasi-type-II alignment of energy levels. The obtained nanocrystals have a heterostructure with a large and highly faceted tetrahedral CdS shell grown epitaxially over a spherical CdSe core. The obtained morphology as well as high resolution electron microscopy confirms that the tetrahedral shell have a zinc blende crystal structure. A phenomenological mechanism for the growth and morphology of the nanocrystals is discussed.
Anke Kelchtermans
2015-01-01
Full Text Available Nanocrystalline ZnO:Al nanoparticles are suitable building blocks for transparent conductive layers. As the concentration of substitutional tetrahedral Al is an important factor for improving conductivity, here we aim to increase the fraction of substitutional Al. To this end, synthesis parameters of a solvothermal reaction yielding ZnO:Al nanorods were varied. A unique set of complementary techniques was combined to reveal the exact position of the aluminium ions in the ZnO lattice and demonstrated its importance in order to evaluate the potential of ZnO:Al nanocrystals as optimal building blocks for solution deposited transparent conductive oxide layers. Both an extension of the solvothermal reaction time and stirring during solvothermal treatment result in a higher total tetrahedral aluminium content in the ZnO lattice. However, only the longer solvothermal treatment effectively results in an increase of the substitutional positions aimed for.
Iain eHepburn
2013-10-01
Full Text Available We describe a novel method for calculating the quasi-static electrical potential on tetrahedral meshes, which we call E-Field. The E-Field method is implemented in STEPS, which performs stochastic spatial reaction-diffusion computations in tetrahedral-based cellular geometry reconstructions. This provides a level of integration between electrical excitability and spatial molecular dynamics in realistic cellular morphology not previously achievable. Deterministic solutions are also possible. By performing the Rallpack tests we demonstrate the accuracy of the E-Field method. Efficient node ordering is an important practical consideration, and we find that a breadth-first search provides the best solutions, although principal axis ordering suffices for some geometries. We discuss potential applications and possible future directions, and predict that the E-Field implementation in STEPS will play an important role in the future of multiscale neural simulations.
Venkatachari, Balaji Shankar; Chang, Chau-Lyan
2016-11-01
The focus of this study is scale-resolving simulations of the canonical normal shock- isotropic turbulence interaction using unstructured tetrahedral meshes and the space-time conservation element solution element (CESE) method. Despite decades of development in unstructured mesh methods and its potential benefits of ease of mesh generation around complex geometries and mesh adaptation, direct numerical or large-eddy simulations of turbulent flows are predominantly carried out using structured hexahedral meshes. This is due to the lack of consistent multi-dimensional numerical formulations in conventional schemes for unstructured meshes that can resolve multiple physical scales and flow discontinuities simultaneously. The CESE method - due to its Riemann-solver-free shock capturing capabilities, non-dissipative baseline schemes, and flux conservation in time as well as space - has the potential to accurately simulate turbulent flows using tetrahedral meshes. As part of the study, various regimes of the shock-turbulence interaction (wrinkled and broken shock regimes) will be investigated along with a study on how adaptive refinement of tetrahedral meshes benefits this problem. The research funding for this paper has been provided by Revolutionary Computational Aerosciences (RCA) subproject under the NASA Transformative Aeronautics Concepts Program (TACP).
Gong K.; Vukmirovic M.B.; Ma C.; Zhu Y.; Adzic R.R.
2011-11-01
We synthesized the Pt monolayer shell-Pd tetrahedral core electrocatalysts that are notable for their high activity and stable performance. A small number of low-coordination sites and defects, and high content of the (1 1 1)-oriented facets on Pd tetrahedron makes them a suitable support for a Pt monolayer to obtain an active O{sub 2} reduction reaction (ORR) electrocatalyst. The surfactants, used to control size and shape of Pd tetrahedral nanoparticles, are difficult to remove and cause adverse effects on the ORR. We describe a simple and noninvasive method to synthesize high-purity tetrahedral Pd nanocrystals (TH Pd) by combining a hydrothermal route and CO adsorption-induced removal of surfactants. Poly(vinylpyrrolidone) (PVP), used as a protecting and reducing agent in hydrothermal reactions, is strongly bonded to the surface of the resulting nanocrystals. We demonstrate that PVP was displaced efficiently by adsorbed CO. A clean surface was achieved upon CO stripping at a high potential (1.0 V vs RHE). It played a decisive role in improving the activity of the Pt monolayer/TH Pd electrocatalyst for the ORR. Furthermore, the results demonstrate a versatile method for removal of surfactants from various nanoparticles that severely limited their applications.
LI Yang-xue; XUE Ming; GUO Li-jia; HUANG Lin; CHEN Si-ru; QIU Shi-lun
2013-01-01
Multifunctional lanthanide metal-organic frameworks(MOFs),M(H4TCPS)(H2O)1.5[M=Tb(JUC-95a),Er(JUC-95b),Dy(JUC-95c),Tm(JUC-95d),Y(JUC-95e) and Pr(JUC-95f); H4TCPS=tetrakis(4-carboxyphenyl)silane] were synthesized via the reaction of the lanthanide metal ions(Ln3) with a rigid silicon-centered tetrahedral carboxylate ligand H4TCPS via a hydrothermal synthesis method.X-Ray diffraction(XRD) analyses reveal that they are extremely similar in structure and crystallized in a monoclinic system with space group C2/c.Two eight-coordinated metal centers and four tetrahedral H4TCPS groups constructed a paddle-wheel building block.The paddle-wheel building blocks assembled with each other via one oxygen bridge from a water molecule to lead to a 1D infinite inorganic rod-shaped chain,—Y—O—C—O—Y—,along the [001] direction.These 1D inorganic rod-shaped chains linked with the phenyl groups of the tetrahedral H4TCPS ligand to form a 3D framework.In addition,the luminescent and magnetic properties of these compounds show that they could be potential antiferromagnetic and fluorescent materials.
Han, Yifeng; Ye, Xuanhong; Zhu, Hong; Li, Yuexiang; Kuang, Xiaojun
2017-03-01
Ba6Na2M2Mn2O17 (M=Nb, Ta) oxides were synthesized by high-temperature solid-state reaction. The compounds adopt 6-layer perovskite-related structure (referred to as 6C) in P 3 ̅m1, analogous to Ba6Na2Nb2P2O17. The 6C structure consists of cubic (c) BaO3 layers and pseudo-cubic (c') oxygen-vacancy-ordered BaO2 layers stacked according to a sequence of c'ccccc. Ordering of oxygen vacancies in oxygen-deficient c'-BaO2 layers leads to two successive isolated tetrahedral layers, which stabilize an unusual +5 oxidation state for Mn cations in the tetrahedral sites. In Ba6Na2M2Mn2O17, these two Mn5+O4 layers are sandwiched by two single octahedral NaO6 layers that connected by two successive octahedral NbO6 layers, forming alternative 2:1-ordered (Ba3NaM2O9)- and (Ba3NaMn2O8)+ perovskite-like units along the stacking direction. The Mn5+O4 tetrahedral units act as a turquoise chromophore in Ba6Na2M2Mn2O17, making these two compounds potential turquoise-coloring materials for the cool pigments.
Zhao, Jie; Zhao, En-Guang; Zhou, Shan-Gui
2016-01-01
We develop a multidimensionally-constrained relativistic Hartree-Bogoliubov (MDC-RHB) model in which the pairing correlations are taken into account by making the Bogoliubov transformation. In this model, the nuclear shape is assumed to be invariant under the reversion of $x$ and $y$ axes, i.e., the intrinsic symmetry group is $V_4$ and all shape degrees of freedom $\\beta_{\\lambda\\mu}$ with even $\\mu$ are included self-consistently. The RHB equation is solved in an axially deformed harmonic oscillator basis. A separable pairing force of finite range is adopted in the MDC-RHB model. The potential energy curves of neutron-rich even-even Zr isotopes are calculated. The ground state shapes of $^{108-112}$Zr are predicted to be tetrahedral with both functionals DD-PC1 and PC-PK1 and $^{106}$Zr is also predicted to have a tetrahedral ground state with the functional PC-PK1. The tetrahedral ground states are caused by large energy gaps at $Z=40$ and $N=70$ when $\\beta_{32}$ deformation is included. Although the incl...
Beeping a Maximal Independent Set
Afek, Yehuda; Bar-Joseph, Ziv; Cornejo, Alejandro; Haeupler, Bernhard; Kuhn, Fabian
2012-01-01
We consider the problem of computing a maximal independent set (MIS) in an extremely harsh broadcast model that relies only on carrier sensing. The model consists of an anonymous broadcast network in which nodes have no knowledge about the topology of the network or even an upper bound on its size. Furthermore, it is assumed that an adversary chooses at which time slot each node wakes up. At each time slot a node can either beep, that is, emit a signal, or be silent. At a particular time slot, beeping nodes receive no feedback, while silent nodes can only differentiate between none of its neighbors beeping, or at least one of its neighbors beeping. We start by proving a lower bound that shows that in this model, it is not possible to locally converge to an MIS in sub-polynomial time. We then study four different relaxations of the model which allow us to circumvent the lower bound and find an MIS in polylogarithmic time. First, we show that if a polynomial upper bound on the network size is known, it is possi...
Maximal switchability of centralized networks
Vakulenko, Sergei; Morozov, Ivan; Radulescu, Ovidiu
2016-08-01
We consider continuous time Hopfield-like recurrent networks as dynamical models for gene regulation and neural networks. We are interested in networks that contain n high-degree nodes preferably connected to a large number of N s weakly connected satellites, a property that we call n/N s -centrality. If the hub dynamics is slow, we obtain that the large time network dynamics is completely defined by the hub dynamics. Moreover, such networks are maximally flexible and switchable, in the sense that they can switch from a globally attractive rest state to any structurally stable dynamics when the response time of a special controller hub is changed. In particular, we show that a decrease of the controller hub response time can lead to a sharp variation in the network attractor structure: we can obtain a set of new local attractors, whose number can increase exponentially with N, the total number of nodes of the nework. These new attractors can be periodic or even chaotic. We provide an algorithm, which allows us to design networks with the desired switching properties, or to learn them from time series, by adjusting the interactions between hubs and satellites. Such switchable networks could be used as models for context dependent adaptation in functional genetics or as models for cognitive functions in neuroscience.
A Maximally Supersymmetric Kondo Model
Harrison, Sarah; Kachru, Shamit; Torroba, Gonzalo; /Stanford U., Phys. Dept. /SLAC
2012-02-17
We study the maximally supersymmetric Kondo model obtained by adding a fermionic impurity to N = 4 supersymmetric Yang-Mills theory. While the original Kondo problem describes a defect interacting with a free Fermi liquid of itinerant electrons, here the ambient theory is an interacting CFT, and this introduces qualitatively new features into the system. The model arises in string theory by considering the intersection of a stack of M D5-branes with a stack of N D3-branes, at a point in the D3 worldvolume. We analyze the theory holographically, and propose a dictionary between the Kondo problem and antisymmetric Wilson loops in N = 4 SYM. We perform an explicit calculation of the D5 fluctuations in the D3 geometry and determine the spectrum of defect operators. This establishes the stability of the Kondo fixed point together with its basic thermodynamic properties. Known supergravity solutions for Wilson loops allow us to go beyond the probe approximation: the D5s disappear and are replaced by three-form flux piercing a new topologically non-trivial S3 in the corrected geometry. This describes the Kondo model in terms of a geometric transition. A dual matrix model reflects the basic properties of the corrected gravity solution in its eigenvalue distribution.
Peltola, Emilia; Wester, Niklas; Holt, Katherine B; Johansson, Leena-Sisko; Koskinen, Jari; Myllymäki, Vesa; Laurila, Tomi
2017-02-15
We hypothesize that by using integrated carbon nanostructures on tetrahedral amorphous carbon (ta-C), it is possible to take the performance and characteristics of these bioelectrodes to a completely new level. The integrated carbon electrodes were realized by combining nanodiamonds (NDs) with ta-C thin films coated on Ti-coated Si-substrates. NDs were functionalized with mixture of carboxyl and amine groups NDandante or amine NDamine, carboxyl NDvox or hydroxyl groups NDH and drop-casted or spray-coated onto substrate. By utilizing these novel structures we show that (i) the detection limit for dopamine can be improved by two orders of magnitude [from 10µM to 50nM] in comparison to ta-C thin film electrodes and (ii) the coating method significantly affects electrochemical properties of NDs and (iii) the ND coatings selectively promote cell viability. NDandante and NDH showed most promising electrochemical properties. The viability of human mesenchymal stem cells and osteoblastic SaOS-2 cells was increased on all ND surfaces, whereas the viability of mouse neural stem cells and rat neuroblastic cells was improved on NDandante and NDH and reduced on NDamine and NDvox. The viability of C6 cells remained unchanged, indicating that these surfaces will not cause excess gliosis. In summary, we demonstrated here that by using functionalized NDs on ta-C thin films we can significantly improve sensitivity towards dopamine as well as selectively promote cell viability. Thus, these novel carbon nanostructures provide an interesting concept for development of various in vivo targeted sensor solutions.
Importance of Tetrahedral Iron during Microbial Reduction of Clay Mineral NAu-2
Shi, B.; Wu, L.; Liu, K.; Smeaton, C. M.; Li, W.; Beard, B. L.; Johnson, C.; Roden, E. E.; Van Cappellen, P.
2015-12-01
Transformations between Fe(II) and Fe(III) in ferruginous clay minerals significantly impact the physicochemical properties of soils and sediments, such as the ion exchange capacity and redox potential. An increasing number of studies have focused on clay minerals that undergo redox changes, however, none have so far addressed Fe isotope fractionation during these processes. In this study, Fe isotope fractionations were determined during microbial reduction of Fe(III) in nontronite NAu-2 with different concentrations of lactate. No secondary Fe-bearing minerals, including Fe oxides, were detected by SEM in over 100 days of incubation, suggesting that the measured fractionations only reflected the net isotope effect associated with the clay minerals. The initial reduction likely started from edge sites, and the reductive dissolution released aqueous Fe(II). Basal plane sorbed Fe(II) was detectable after the extent of Fe reduction exceeded 5% and extensive electron transfer and isotope exchange had occurred between basal plane sorbed Fe(II) and structural Fe(III). With lower concentrations of the lactate(40 mM), the maximum Fe isotope fractionation was larger (∆56Febasal Fe(II)-structure Fe(III)= -4.37‰), consistent with greater adsorption than in systems with more lactate. After the Fe in reactive sites was all reduced, isotope exchange between Fe(II) and structural Fe(III) was inhibited due to blockage of electron transfer pathways by the collapse of the clay layers. The results agree with another study in our group on microbial reduction of NAu-1, despite both the smaller extent of reduction (~10% vs. 22% max bioreduction for NAu-1 and NAu-2, respectively) and smaller isotope fractionation factor than for NAu-2. We speculate that tetrahedral Fe in NAu-2 may have accelerated the electron transfer between Fe atoms, thus inducing a higher extent of reduction and a larger Fe isotope fractionation compared to NAu-1.
Pascucci, V
2004-02-18
This paper presents a simple approach for rendering isosurfaces of a scalar field. Using the vertex programming capability of commodity graphics cards, we transfer the cost of computing an isosurface from the Central Processing Unit (CPU), running the main application, to the Graphics Processing Unit (GPU), rendering the images. We consider a tetrahedral decomposition of the domain and draw one quadrangle (quad) primitive per tetrahedron. A vertex program transforms the quad into the piece of isosurface within the tetrahedron (see Figure 2). In this way, the main application is only devoted to streaming the vertices of the tetrahedra from main memory to the graphics card. For adaptively refined rectilinear grids, the optimization of this streaming process leads to the definition of a new 3D space-filling curve, which generalizes the 2D Sierpinski curve used for efficient rendering of triangulated terrains. We maintain the simplicity of the scheme when constructing view-dependent adaptive refinements of the domain mesh. In particular, we guarantee the absence of T-junctions by satisfying local bounds in our nested error basis. The expensive stage of fixing cracks in the mesh is completely avoided. We discuss practical tradeoffs in the distribution of the workload between the application and the graphics hardware. With current GPU's it is convenient to perform certain computations on the main CPU. Beyond the performance considerations that will change with the new generations of GPU's this approach has the major advantage of avoiding completely the storage in memory of the isosurface vertices and triangles.
Do the Kontsevich tetrahedral flows preserve or destroy the space of Poisson bi-vectors?
Bouisaghouane, Anass; Kiselev, Arthemy V.
2017-01-01
From the paper “Formality Conjecture” (Ascona 1996): I am aware of only one such a class, it corresponds to simplest good graph, the complete graph with 4 vertices (and 6 edges). This class gives a remarkable vector field on the space of bi-vector fields on ℝd . The evolution with respect to the time t is described by the following non-linear partial differential equation: …, where α = ∑i,j αij∂ / ∂ xi ∧ ∂ / ∂ xj is a bi-vector field on ℝd. It follows from general properties of cohomology that 1) this evolution preserves the class of ( real-analytic ) Poisson structures , … In fact, I cheated a little bit. In the formula for the vector field on the space of bivector fields which one get from the tetrahedron graph, an additional term is present. … It is possible to prove formally that if α is a Poisson bracket, i.e. if [α, α] = 0 ∈ T2(ℝ d ), then the additional term shown above vanishes . By using twelve Poisson structures with high-degree polynomial coefficients as explicit counter-examples, we show that both the above claims are false: neither does the first flow preserve the property of bi-vectors to be Poisson nor does the second flow vanish identically at Poisson bi-vectors. The counterexamples at hand suggest a correction to the formula for the “exotic” flow on the space of Poisson bi-vectors; in fact, this flow is encoded by the balanced sum involving both the Kontsevich tetrahedral graphs (that give rise to the flows mentioned above). We reveal that it is only the balance 1 : 6 for which the flow does preserve the space of Poisson bi-vectors.
The stability of a crystal with diamond structure for patchy particles with tetrahedral symmetry.
Noya, Eva G; Vega, Carlos; Doye, Jonathan P K; Louis, Ard A
2010-06-21
The phase diagram of model anisotropic particles with four attractive patches in a tetrahedral arrangement has been computed at two different values of the range of the potential, with the aim of investigating the conditions under which a diamond crystal can be formed. We find that the diamond phase is never stable for our longer-ranged potential. At low temperatures and pressures, the fluid freezes into a body-centered-cubic solid that can be viewed as two interpenetrating diamond lattices with a weak interaction between the two sublattices. Upon compression, an orientationally ordered face-centered-cubic crystal becomes more stable than the body-centered-cubic crystal, and at higher temperatures, a plastic face-centered-cubic phase is stabilized by the increased entropy due to orientational disorder. A similar phase diagram is found for the shorter-ranged potential, but at low temperatures and pressures, we also find a region over which the diamond phase is thermodynamically favored over the body-centered-cubic phase. The higher vibrational entropy of the diamond structure with respect to the body-centered-cubic solid explains why it is stable even though the enthalpy of the latter phase is lower. Some preliminary studies on the growth of the diamond structure starting from a crystal seed were performed. Even though the diamond phase is never thermodynamically stable for the longer-ranged model, direct coexistence simulations of the interface between the fluid and the body-centered-cubic crystal and between the fluid and the diamond crystal show that at sufficiently low pressures, it is quite probable that in both cases the solid grows into a diamond crystal, albeit involving some defects. These results highlight the importance of kinetic effects in the formation of diamond crystals in systems of patchy particles.
Abdelmoaty, Yomna H; Tessema, Tsemre-Dingel; Norouzi, Nazgol; El-Kadri, Oussama M; Turner, Joseph B McGee; El-Kaderi, Hani M
2017-10-09
Development of efficient sorbents for carbon dioxide (CO2) capture from flue gas or its removal from natural gas and landfill gas is very important for environmental protection. A new series of heteroatom-doped porous carbon was synthesized directly from pyrazole/KOH by thermolysis. The resulting pyrazole-derived carbons (PYDCs) are highly doped with nitrogen (14.9-15.5 wt %) as a result of the high nitrogen-to-carbon ratio in pyrazole (43 wt %) and also have a high oxygen content (16.4-18.4 wt %). PYDCs have a high surface area (SABET = 1266-2013 m(2) g(-1)), high CO2 Qst (33.2-37.1 kJ mol(-1)), and a combination of mesoporous and microporous pores. PYDCs exhibit significantly high CO2 uptakes that reach 2.15 and 6.06 mmol g(-1) at 0.15 and 1 bar, respectively, at 298 K. At 273 K, the CO2 uptake improves to 3.7 and 8.59 mmol g(-1) at 0.15 and 1 bar, respectively. The reported porous carbons also show significantly high adsorption selectivity for CO2/N2 (128) and CO2/CH4 (13.4) according to ideal adsorbed solution theory calculations at 298 K. Gas breakthrough studies of CO2/N2 (10:90) at 298 K showed that PYDCs display excellent separation properties. The ability to tailor the physical properties of PYDCs as well as their chemical composition provides an effective strategy for designing efficient CO2 sorbents.
Maximal inequalities for demimartingales and their applications
WANG XueJun; HU ShuHe
2009-01-01
In this paper,we establish some maximal inequalities for demimartingales which generalize and improve the results of Christofides.The maximal inequalities for demimartingales are used as key inequalities to establish other results including Doob's type maximal inequality for demimartingales,strong laws of large numbers and growth rate for demimartingales and associated random variables.At last,we give an equivalent condition of uniform integrability for demisubmartingales.
Maximal inequalities for demimartingales and their applications
无
2009-01-01
In this paper, we establish some maximal inequalities for demimartingales which generalize and improve the results of Christofides. The maximal inequalities for demimartingales are used as key inequalities to establish other results including Doob’s type maximal inequality for demimartingales, strong laws of large numbers and growth rate for demimartingales and associated random variables. At last, we give an equivalent condition of uniform integrability for demisubmartingales.
Task-oriented maximally entangled states
Agrawal, Pankaj; Pradhan, B, E-mail: agrawal@iopb.res.i, E-mail: bpradhan@iopb.res.i [Institute of Physics, Sachivalaya Marg, Bhubaneswar, Orissa 751 005 (India)
2010-06-11
We introduce the notion of a task-oriented maximally entangled state (TMES). This notion depends on the task for which a quantum state is used as the resource. TMESs are the states that can be used to carry out the task maximally. This concept may be more useful than that of a general maximally entangled state in the case of a multipartite system. We illustrate this idea by giving an operational definition of maximally entangled states on the basis of communication tasks of teleportation and superdense coding. We also give examples and a procedure to obtain such TMESs for n-qubit systems.
Inflation in maximal gauged supergravities
Kodama, Hideo [Theory Center, KEK,Tsukuba 305-0801 (Japan); Department of Particles and Nuclear Physics,The Graduate University for Advanced Studies,Tsukuba 305-0801 (Japan); Nozawa, Masato [Dipartimento di Fisica, Università di Milano, and INFN, Sezione di Milano,Via Celoria 16, 20133 Milano (Italy)
2015-05-18
We discuss the dynamics of multiple scalar fields and the possibility of realistic inflation in the maximal gauged supergravity. In this paper, we address this problem in the framework of recently discovered 1-parameter deformation of SO(4,4) and SO(5,3) dyonic gaugings, for which the base point of the scalar manifold corresponds to an unstable de Sitter critical point. In the gauge-field frame where the embedding tensor takes the value in the sum of the 36 and 36’ representations of SL(8), we present a scheme that allows us to derive an analytic expression for the scalar potential. With the help of this formalism, we derive the full potential and gauge coupling functions in analytic forms for the SO(3)×SO(3)-invariant subsectors of SO(4,4) and SO(5,3) gaugings, and argue that there exist no new critical points in addition to those discovered so far. For the SO(4,4) gauging, we also study the behavior of 6-dimensional scalar fields in this sector near the Dall’Agata-Inverso de Sitter critical point at which the negative eigenvalue of the scalar mass square with the largest modulus goes to zero as the deformation parameter s approaches a critical value s{sub c}. We find that when the deformation parameter s is taken sufficiently close to the critical value, inflation lasts more than 60 e-folds even if the initial point of the inflaton allows an O(0.1) deviation in Planck units from the Dall’Agata-Inverso critical point. It turns out that the spectral index n{sub s} of the curvature perturbation at the time of the 60 e-folding number is always about 0.96 and within the 1σ range n{sub s}=0.9639±0.0047 obtained by Planck, irrespective of the value of the η parameter at the critical saddle point. The tensor-scalar ratio predicted by this model is around 10{sup −3} and is close to the value in the Starobinsky model.
Natural off-stoichiometry causes carrier doping in half-Heusler filled tetrahedral structures
Yu, Yonggang G.; Zhang, Xiuwen; Zunger, Alex
2017-02-01
The half-Heusler filled tetrahedral structures (FTSs) are zinc-blende-like compounds, where an additional atom is filling its previously empty interstitial site. The FTSs having 18 valence electrons per formula unit are an emerging family of functional materials, whose intrinsic doping trends underlying a wide range of electronic functionalities are yet to be understood. Interestingly, even pristine compounds without any attempt at impurity/chemical doping exhibit intriguing trends in the free carriers they exhibit. Applying the first principles theory of doping to a few prototype compounds in the AIVBXCIV and AIVBIXCV groups, we describe the key ingredients controlling the materials' propensity for both intrinsic and extrinsic doping: (a) The spontaneous deviations from 1:1:1 stoichiometry reflect predictable thermodynamic stability of specific competing phases. (b) Bulk ABC compounds containing 3 d elements in the B position (ZrNiSn and ZrCoSb) are predicted to be naturally 3 d rich. The B =3 d interstitials are the prevailing shallow donors, whereas the potential acceptors (e.g., Zr vacancy and Sn-on-Zr antisite) are ineffective electron killers, resulting in an overall uncompensated n -type character, even without any chemical doping. In these materials, the band edges are "natural impurity bands" due to non-Daltonian off-stoichiometry, such as B interstitials, not intrinsic bulk controlled states as in a perfect crystal. (c) Bulk ABC compounds containing 5 d elements in the B position (ZrPtSn, ZrIrSb, and TaIrGe) are predicted to be naturally C rich and A poor. This promotes the hole-producing C -on-A antisite defects rather than B -interstitial donors. The resultant p -type character (without chemical doping) therein is "latent" for C =Sn and Sb; however, as the C -on-A hole-producing acceptors are rather deep and p typeness is manifest only at high temperature or via impurity doping. In contrast, in TaIrGe (B =Ir , 5 d ) , the prevailing hole-producing Ge
Computing Maximally Supersymmetric Scattering Amplitudes
Stankowicz, James Michael, Jr.
This dissertation reviews work in computing N = 4 super-Yang--Mills (sYM) and N = 8 maximally supersymmetric gravity (mSUGRA) scattering amplitudes in D = 4 spacetime dimensions in novel ways. After a brief introduction and overview in Ch. 1, the various techniques used to construct amplitudes in the remainder of the dissertation are discussed in Ch. 2. This includes several new concepts such as d log and pure integrand bases, as well as how to construct the amplitude using exactly one kinematic point where it vanishes. Also included in this chapter is an outline of the Mathematica package on shell diagrams and numerics.m (osdn) that was developed for the computations herein. The rest of the dissertation is devoted to explicit examples. In Ch. 3, the starting point is tree-level sYM amplitudes that have integral representations with residues that obey amplitude relations. These residues are shown to have corresponding residue numerators that allow a double copy prescription that results in mSUGRA residues. In Ch. 4, the two-loop four-point sYM amplitude is constructed in several ways, showcasing many of the techniques of Ch. 2; this includes an example of how to use osdn. The two-loop five-point amplitude is also presented in a pure integrand representation with comments on how it was constructed from one homogeneous cut of the amplitude. On-going work on the two-loop n-point amplitude is presented at the end of Ch. 4. In Ch. 5, the three-loop four-point amplitude is presented in the d log representation and in the pure integrand representation. In Ch. 6, there are several examples of four- through seven-loop planar diagrams that illustrate how considerations of the singularity structure of the amplitude underpin dual-conformal invariance. Taken with the previous examples, this is additional evidence that the structure known to exist in the planar sector extends to the full theory. At the end of this chapter is a proof that all mSUGRA amplitudes have a pole at
Are all maximally entangled states pure?
Cavalcanti, D; Terra-Cunha, M O
2005-01-01
In this Letter we study if all maximally entangled states are pure through several entanglement monotones. Our conclusions allow us to generalize the idea of monogamy of entanglement. Then we propose a polygamy of entanglement, which express that if a general multipartite state is maximally entangled it is necessarily factorized by any other system.
Sampling and Representation Complexity of Revenue Maximization
Dughmi, Shaddin; Han, Li; Nisan, Noam
2014-01-01
We consider (approximate) revenue maximization in auctions where the distribution on input valuations is given via "black box" access to samples from the distribution. We observe that the number of samples required -- the sample complexity -- is tightly related to the representation complexity of an approximately revenue-maximizing auction. Our main results are upper bounds and an exponential lower bound on these complexities.
Lisonek, Petr
1996-01-01
our classifications confirmthe maximality of previously known sets, the results in E^7 and E^8are new. Their counterpart in dimension larger than 10is a set of unit vectors with only two values of inner products in the Lorentz space R^{d,1}.The maximality of this set again follows from a bound due...
An ethical justification of profit maximization
Koch, Carsten Allan
2010-01-01
In much of the literature on business ethics and corporate social responsibility, it is more or less taken for granted that attempts to maximize profits are inherently unethical. The purpose of this paper is to investigate whether an ethical argument can be given in support of profit maximizing b...
Alternative trailer configurations for maximizing payloads
Jason D. Thompson; Dana Mitchell; John Klepac
2017-01-01
In order for harvesting contractors to stay ahead of increasing costs, it is imperative that they employ all options to maximize productivity and efficiency. Transportation can account for half the cost to deliver wood to a mill. Contractors seek to maximize truck payload to increase productivity. The Forest Operations Research Unit, Southern Research Station, USDA...
Cohomology of Weakly Reducible Maximal Triangular Algebras
董浙; 鲁世杰
2000-01-01
In this paper, we introduce the concept of weakly reducible maximal triangular algebras φwhich form a large class of maximal triangular algebras. Let B be a weakly closed algebra containing 5φ, we prove that the cohomology spaces Hn(φ, B) (n≥1) are trivial.
Inclusive fitness maximization: An axiomatic approach.
Okasha, Samir; Weymark, John A; Bossert, Walter
2014-06-07
Kin selection theorists argue that evolution in social contexts will lead organisms to behave as if maximizing their inclusive, as opposed to personal, fitness. The inclusive fitness concept allows biologists to treat organisms as akin to rational agents seeking to maximize a utility function. Here we develop this idea and place it on a firm footing by employing a standard decision-theoretic methodology. We show how the principle of inclusive fitness maximization and a related principle of quasi-inclusive fitness maximization can be derived from axioms on an individual׳s 'as if preferences' (binary choices) for the case in which phenotypic effects are additive. Our results help integrate evolutionary theory and rational choice theory, help draw out the behavioural implications of inclusive fitness maximization, and point to a possible way in which evolution could lead organisms to implement it. Copyright © 2014 Elsevier Ltd. All rights reserved.
Maximal Hypersurfaces in Spacetimes with Translational Symmetry
Bulawa, Andrew
2016-01-01
We consider four-dimensional vacuum spacetimes which admit a free isometric spacelike R-action. Taking a quotient with respect to the R-action produces a three-dimensional quotient spacetime. We establish several results regarding maximal hypersurfaces (spacelike hypersurfaces of zero mean curvature) in quotient spacetimes. First, we show that complete noncompact maximal hypersurfaces must either be flat cylinders S^1 x R or conformal to the Euclidean plane. Second, we establish a positive mass theorem for certain maximal hypersurfaces. Finally, while it is meaningful to use a bounded lapse when adopting the maximal hypersurface gauge condition in the four-dimensional (asymptotically flat) setting, it is shown here that nontrivial quotient spacetimes admit the maximal hypersurface gauge only with an unbounded lapse.
Stoddard, Mary Caswell; Prum, Richard O
2008-06-01
We use a tetrahedral color space to describe and analyze male plumage color variation and evolution in a clade of New World buntings--Cyanocompsa and Passerina (Aves: Cardinalidae). The Goldsmith color space models the relative stimulation of the four retinal cones, using the integrals of the product of plumage reflectance spectra and cone sensitivity functions. A color is represented as a vector defined by the relative stimulation of the four cone types--ultraviolet, blue, green, and red. Color vectors are plotted in a tetrahedral, or quaternary, plot with the achromatic point at the origin and the ultraviolet/violet channel along the Z-axis. Each color vector is specified by the spherical coordinates theta, phi, and r. Hue is given by the angles theta and phi. Chroma is given by the magnitude of r, the distance from the achromatic origin. Color vectors of all distinct patches in a plumage characterize the plumage color phenotype. We describe the variation in color space occupancy of male bunting plumages, using various measures of color contrast, hue contrast and diversity, and chroma. Comparative phylogenetic analyses using linear parsimony (in MacClade) and generalized least squares (GLS) models (in CONTINUOUS) with a molecular phylogeny of the group document that plumage color evolution in the clade has been very dynamic. The single best-fit GLS evolutionary model of plumage color variation over the entire clade is a directional change model with no phylogenetic correlation among species. However, phylogenetic innovations in feather color production mechanisms--derived pheomelanin and carotenoid expression in two lineages--created new opportunities to colonize novel areas of color space and fostered the explosive differentiation in plumage color. Comparison of the tetrahedral color space of Goldsmith with that of Endler and Mielke demonstrates that both provide essentially identical results. Evolution of avian ultraviolet/violet opsin sensitivity in relation
Rustad, James R.
2016-01-01
Molecular dynamics calculations are carried out on pure, Al-substituted, and In-substituted LLZO. The calculations show that the tendency of Al to occupy the 24d sites in LLZO lithium ion conductors is hypothesized here to negatively impact ionic conductivity. The room-temperature ionic conductivity of In-LLZO, in which the In resides at the 48g sites, is predicted to be an order of magnitude higher than Al-LLZO. Consideration of the simple tetrahedral topology of the lithium ion conduction n...
Pouya Karimi
2014-07-01
Full Text Available Stability of the π-π stacking interactions in the Ben||N-substituted-coronene complexes was stu-died using the computational quantum chemistry methods (where Ben is benzene and || denotes π-π stacking interaction, and N-substituted-coronene is coronene molecule which substituted with different number of N atoms. The results reveal simultaneous effects of structure and number of Heteroatom on the π-π stacking interactions with N-substituted-coronenes. Changing the number of Heteroatom N in N-substituted-coronenes and substitution of 8N-coronene with electron-withdrawing or electron-donating X groups alter the electron charge density at rings of this molecule and leads to different binding energies in the Ben||X-8N-substituted-coronene com-plexes. Results indicate that electron-withdrawing groups lead to higher π–π stacking binding energies compared to electron-donating ones in the Ben||X-8N-substituted-coronene complexes.
Yang, Xingyi
Tetrahedral amorphous carbon (ta-C) is a diamond-like carbon (DLC) material comprised of a mixture of sp2 (˜40%) and sp3-bonded (˜60%) carbon domains. The physicochemical structure and electrochemical properties depend strongly on the sp2/sp3 bonding ratio as well as the incorporation of impurities, such as hydrogen or nitrogen. The ability to grow ta-C films at lower temperatures (25-100 °C) on a wider variety of substrates is a potential advantage of these materials as compared with diamond films. In this project, the basic structural and electrochemical properties of nitrogen-incorporated ta-C thin films will be discussed. The major goal of this work was to determine if the ta-C:N films exhibit electrochemical properties more closely aligned with those of boron-doped diamond (sp 3 carbon) or glassy carbon (amorphous sp2 carbon). Much like diamond, ta-C:N thin-film electrodes are characterized by a low background voltammetric current, a wide working potential window, relatively rapid electron-transfer kinetics for aqueous redox systems, such as Fe(CN) 6-3/-4 and Ru(NH3)6+3/+2 , and weak adsorption of polar molecules from solution. For example, negligible adsorption of methylene blue was found on the ta-C:N films in contrast to glassy carbon; a surface on which this molecule strongly adsorbs. The film microstructure was studied with x-ray photoelectron microscopy (XPS), visible Raman spectroscopy and electron-energy loss spectroscopy (EELS); all of which revealed the sp2-bonded carbon content increased with increasing nitrogen. The electrical properties of ta-C:N films were studied by four-point probe resistance measurement and conductive-probe AFM (CP-AFM). The incorporation of nitrogen into ta-C films increased the electrical conductivity primarily by increasing the sp2-bonded carbon content. CP-AFM showed the distribution of the conductive sp2-carbon on the film surface was not uniform. These films have potential to be used in field emission area. The
Jenkins, D. M.; Lei, J.
2013-12-01
The sodium content in the M4 site of amphibole (BNa) was calibrated by Brown (1977, J Petrol, 18, 53-72) in a study that continues to be highly cited to this day. This study, based on empirical observations of amphibole compositional changes in the presence of the buffering assemblage plagioclase, chlorite, epidote, iron oxide, and water, demonstrated a systematic variation in the BNa and tetrahedral Al (TAl) content with pressure. Recent experimental work in this lab aimed at defining the extent of miscibility along the tremolite-glaucophane and hornblende-glaucophane joins in the Na2O-CaO-MgO-Al2O3-SiO2-H2O system has provided some additional information on the cation mixing along these joins. These joins also serve as the chemically-simplified framework of the BNa versus TAl correlation reported by Brown (1977). There are now sufficient, though still a bare minimum, of experimentally-confirmed mixing data for sodium-rich amphiboles to test this correlation and for quantifying the pressure-temperature (P-T) dependence of amphibole compositions in metamafic rocks relevant to subduction zones. From experimental results obtained over the range of 500-800°C, 1.5-2.0 GPa, and using a variety of amphibole synthesis and re-equilibration methods, the following set of asymmetric formalism (ASF) macroscopic interaction and mixing parameters have been derived that can be used with THERMOCALC dataset 55: Wtrgl = 70 kJ, Wglts = Wtrts =20 kJ, α(tr) = 1.0, α(ts) = 1.2, and α(gl) = 0.52. Using a fixed MORB bulk composition, the composition of amphiboles within the P-T stability field of the buffering assemblage were calculated for the above chemical system with FeO added (i.e., NCFMASH) over the range of 0.2 - 2.0 GPa and 400 - 700°C. The following main observations can be made. First, the empirical amphibole compositions at low TAl and high BNa contents are well modeled by the miscibility gap in the amphibole ternary sub-system tremolite
Are all maximally entangled states pure?
Cavalcanti, D.; Brandão, F. G. S. L.; Terra Cunha, M. O.
2005-10-01
We study if all maximally entangled states are pure through several entanglement monotones. In the bipartite case, we find that the same conditions which lead to the uniqueness of the entropy of entanglement as a measure of entanglement exclude the existence of maximally mixed entangled states. In the multipartite scenario, our conclusions allow us to generalize the idea of the monogamy of entanglement: we establish the polygamy of entanglement, expressing that if a general state is maximally entangled with respect to some kind of multipartite entanglement, then it is necessarily factorized of any other system.
An ethical justification of profit maximization
Koch, Carsten Allan
2010-01-01
In much of the literature on business ethics and corporate social responsibility, it is more or less taken for granted that attempts to maximize profits are inherently unethical. The purpose of this paper is to investigate whether an ethical argument can be given in support of profit maximizing...... behaviour. It is argued that some form of consequential ethics must be applied, and that both profit seeking and profit maximization can be defended from a rule-consequential point of view. It is noted, however, that the result does not apply unconditionally, but requires that certain form of profit (and...
Robust utility maximization in a discontinuous filtration
Jeanblanc, Monique; Ngoupeyou, Armand
2012-01-01
We study a problem of utility maximization under model uncertainty with information including jumps. We prove first that the value process of the robust stochastic control problem is described by the solution of a quadratic-exponential backward stochastic differential equation with jumps. Then, we establish a dynamic maximum principle for the optimal control of the maximization problem. The characterization of the optimal model and the optimal control (consumption-investment) is given via a forward-backward system which generalizes the result of Duffie and Skiadas (1994) and El Karoui, Peng and Quenez (2001) in the case of maximization of recursive utilities including model with jumps.
Kim, Cheolmin; Yoon, Min-Ju; Hong, Seok Hee; Park, Minjoon; Park, Kwangyong; Kim, Soo Young
2016-05-01
Tetrahedral structures comprising Sn-cored materials with five different types of substituents were synthesized. For the substituents, we employed methyl and tert-butyl as aliphatic groups, and naphthyl and phenyl as aromatic groups. The bandgap is in the range of 3.28 - 3.56 eV. The All the compounds with substituents showed bathochromical photoluminescence characteristics and exhibited aggregation-induced emission characteristics. Specifically, the compounds with aromatic substituents prohibited side-chain packing and π-π stacking. The energy levels of the highest occupied and lowest unoccupied molecular orbitals were measured to be 5.5 - 5.75 and 2.0 - 2.37 eV, respectively. The maximum luminance efficiencies and power efficiencies of the Sn-cored compound-based organic light-emitting diodes (OLEDs) were 0.38 - 0.71 cd/A and 0.15 - 0.28 lm/W. Therefore, it is expected that Sn-cored compounds with a tetrahedral structure, especially those containing aromatic substituents, can be used as an active material in blue OLEDs for prohibiting side-chain packing and π-π stacking. [Figure not available: see fulltext.
Chang, Chau-Lyan; Venkatachari, Balaji
2016-11-01
Flow physics near the viscous wall is intrinsically anisotropic in nature, namely, the gradient along the wall normal direction is much larger than that along the other two orthogonal directions parallel to the surface. Accordingly, high aspect ratio meshes are employed near the viscous wall to capture the physics and maintain low grid count. While such arrangement works fine for structured-grid based methods with dimensional splitting that handles derivatives in each direction separately, similar treatments often lead to numerical instability for unstructured-mesh based methods when triangular or tetrahedral meshes are used. The non-splitting treatment of near-wall gradients for high-aspect ratio triangular or tetrahedral elements results in an ill-conditioned linear system of equations that is closely related to the numerical instability. Altering the side lengths of the near wall tetrahedrons in the gradient calculations would make the system less unstable but more dissipative. This research presents recent progress in applying numerical dissipation control in the space-time conservation element solution element (CESE) method to reduce or alleviate the above-mentioned instability while maintaining reasonable solution accuracy.
Klaus Oehr
2014-11-01
Full Text Available We hypothesize a mechanistic model of how negatively-charged exclusion zones (EZs are created. While the growth of EZs is known to be associated with the absorption of ambient photonic energy, the molecular dynamics giving rise to this process need greater elucidation. We believe they arise due to the formation of oxy-subhydride structures (OH−(H2O4 with a tetrahedral (sp3 (OH−(H2O3 core. Five experimental data sets derived by previous researchers were assessed in this regard: (1 water-derived EZ light absorbance at specific infrared wavelengths, (2 EZ negative potential in water and ethanol, (3 maximum EZ light absorbance at 270 nm ultraviolet wavelength, (4 ability of dimethyl sulphoxide but not ether to form an EZ, and (5 transitory nature of melting ice derived EZs. The proposed tetrahedral oxy-subhydride structures (TOSH appear to adequately account for all of the experimental evidence derived from water or other polar solvents.
HEALTH INSURANCE: CONTRIBUTIONS AND REIMBURSEMENT MAXIMAL
HR Division
2000-01-01
Affected by both the salary adjustment index on 1.1.2000 and the evolution of the staff members and fellows population, the average reference salary, which is used as an index for fixed contributions and reimbursement maximal, has changed significantly. An adjustment of the amounts of the reimbursement maximal and the fixed contributions is therefore necessary, as from 1 January 2000.Reimbursement maximalThe revised reimbursement maximal will appear on the leaflet summarising the benefits for the year 2000, which will soon be available from the divisional secretariats and from the AUSTRIA office at CERN.Fixed contributionsThe fixed contributions, applicable to some categories of voluntarily insured persons, are set as follows (amounts in CHF for monthly contributions):voluntarily insured member of the personnel, with complete coverage:815,- (was 803,- in 1999)voluntarily insured member of the personnel, with reduced coverage:407,- (was 402,- in 1999)voluntarily insured no longer dependent child:326,- (was 321...
Maximizing throughput by evaluating critical utilization paths
Weeda, P.J.
1991-01-01
Recently the relationship between batch structure, bottleneck machine and maximum throughput has been explored for serial, convergent and divergent process configurations consisting of two machines and three processes. In three of the seven possible configurations a multiple batch structure maximize
Relationship between maximal exercise parameters and individual ...
Relationship between maximal exercise parameters and individual time trial ... It is widely accepted that the ventilatory threshold (VT) is an important ... This study investigated whether the physiological responses during a 20km time trial (TT) ...
Simple technique for maximal thoracic muscle harvest.
Marshall, M Blair; Kaiser, Larry R; Kucharczuk, John C
2004-04-01
We present a modification of technique for standard muscle flap harvest, the placement of cutaneous traction sutures. This technique allows for maximal dissection of the thoracic muscles even through minimal incisions. Through improved exposure and traction, complete dissection of the muscle bed can be performed and the tissue obtained maximized. Because more muscle bulk is obtained with this technique, the need for a second muscle may be prevented.
MAXIMAL POINTS OF A REGULAR TRUTH FUNCTION
Every canonical linearly separable truth function is a regular function, but not every regular truth function is linearly separable. The most...promising method of determining which of the regular truth functions are linearly separable r quires finding their maximal and minimal points. In this...report is developed a quick, systematic method of finding the maximal points of any regular truth function in terms of its arithmetic invariants. (Author)
Maximal Subgroups of Skew Linear Groups
M. Mahdavi-Hezavehi
2002-01-01
Let D be an infinite division algebra of finite dimension over its centre Z(D) = F, and n a positive integer. The structure of maximal subgroups of skew linear groups are investigated. In particular, assume N is a normal subgroup of GLn(D) and M is a maximal subgroup of N containing Z(N). It is shown that if M/Z(N) is finite, then N is central.
Additive Approximation Algorithms for Modularity Maximization
Kawase, Yasushi; Matsui, Tomomi; Miyauchi, Atsushi
2016-01-01
The modularity is a quality function in community detection, which was introduced by Newman and Girvan (2004). Community detection in graphs is now often conducted through modularity maximization: given an undirected graph $G=(V,E)$, we are asked to find a partition $\\mathcal{C}$ of $V$ that maximizes the modularity. Although numerous algorithms have been developed to date, most of them have no theoretical approximation guarantee. Recently, to overcome this issue, the design of modularity max...
Maximal Frequent Itemset Generation Using Segmentation Apporach
M.Rajalakshmi
2011-09-01
Full Text Available Finding frequent itemsets in a data source is a fundamental operation behind Association Rule Mining.Generally, many algorithms use either the bottom-up or top-down approaches for finding these frequentitemsets. When the length of frequent itemsets to be found is large, the traditional algorithms find all thefrequent itemsets from 1-length to n-length, which is a difficult process. This problem can be solved bymining only the Maximal Frequent Itemsets (MFS. Maximal Frequent Itemsets are frequent itemsets whichhave no proper frequent superset. Thus, the generation of only maximal frequent itemsets reduces thenumber of itemsets and also time needed for the generation of all frequent itemsets as each maximal itemsetof length m implies the presence of 2m-2 frequent itemsets. Furthermore, mining only maximal frequentitemset is sufficient in many data mining applications like minimal key discovery and theory extraction. Inthis paper, we suggest a novel method for finding the maximal frequent itemset from huge data sourcesusing the concept of segmentation of data source and prioritization of segments. Empirical evaluationshows that this method outperforms various other known methods.
Natural selection and the maximization of fitness.
Birch, Jonathan
2016-08-01
The notion that natural selection is a process of fitness maximization gets a bad press in population genetics, yet in other areas of biology the view that organisms behave as if attempting to maximize their fitness remains widespread. Here I critically appraise the prospects for reconciliation. I first distinguish four varieties of fitness maximization. I then examine two recent developments that may appear to vindicate at least one of these varieties. The first is the 'new' interpretation of Fisher's fundamental theorem of natural selection, on which the theorem is exactly true for any evolving population that satisfies some minimal assumptions. The second is the Formal Darwinism project, which forges links between gene frequency change and optimal strategy choice. In both cases, I argue that the results fail to establish a biologically significant maximization principle. I conclude that it may be a mistake to look for universal maximization principles justified by theory alone. A more promising approach may be to find maximization principles that apply conditionally and to show that the conditions were satisfied in the evolution of particular traits.
Zhang, Xin; Zhang, Xu; Johnson, Jacob A.; Chen, Yu-Sheng; Zhang, Jian
2016-06-24
Two non-interpenetrated zirconium metal–organic frameworks (Zr-MOFs), NPF-200 and NPF-201, were synthesized via the assembly of elongated tetrahedral linkers with Zr_{6} and Zr_{8} clusters. They represent the first examples of MOFs to have the β-UH_{3}-like, 4,12,12T1 topology. Upon activation, NPF-200 exhibits the largest BET surface area (5463 m^{2} g^{–1}) and void volume (81.6%) among all MOFs formed from tetrahedral ligands. Composed of negative-charged boron-centered tetrahedral linkers, NPF-201 is an anionic Zr-MOF which selectively uptakes photoactive [Ru(bpy)_{3}]^{2+} for heterogeneous photo-oxidation of thioanisole.
Welfare-maximizing and revenue-maximizing tariffs with a few domestic firms
Bruno Larue; Jean-Philippe Gervais
2002-01-01
In this paper we compare the orthodox optimal tariff formula with the appropriate welfare-maximizing tariff when there are a few producing or importing firms. The welfare-maximizing tariff can be very low, voire negative in some cases, while in others it can even exceed the maximum-revenue tariff. The relationship between the welfare-maximizing tariff and the number of firms need not be monotonically increasing, because the tariff is not strictly used to internalize terms of trade externality...
Maximizing Complementary Quantities by Projective Measurements
M. Souza, Leonardo A.; Bernardes, Nadja K.; Rossi, Romeu
2017-04-01
In this work, we study the so-called quantitative complementarity quantities. We focus in the following physical situation: two qubits ( q A and q B ) are initially in a maximally entangled state. One of them ( q B ) interacts with a N-qubit system ( R). After the interaction, projective measurements are performed on each of the qubits of R, in a basis that is chosen after independent optimization procedures: maximization of the visibility, the concurrence, and the predictability. For a specific maximization procedure, we study in detail how each of the complementary quantities behave, conditioned on the intensity of the coupling between q B and the N qubits. We show that, if the coupling is sufficiently "strong," independent of the maximization procedure, the concurrence tends to decay quickly. Interestingly enough, the behavior of the concurrence in this model is similar to the entanglement dynamics of a two qubit system subjected to a thermal reservoir, despite that we consider finite N. However, the visibility shows a different behavior: its maximization is more efficient for stronger coupling constants. Moreover, we investigate how the distinguishability, or the information stored in different parts of the system, is distributed for different couplings.
Venkatachari, Balaji Shankar; Streett, Craig L.; Chang, Chau-Lyan; Friedlander, David J.; Wang, Xiao-Yen; Chang, Sin-Chung
2016-01-01
Despite decades of development of unstructured mesh methods, high-fidelity time-accurate simulations are still predominantly carried out on structured, or unstructured hexahedral meshes by using high-order finite-difference, weighted essentially non-oscillatory (WENO), or hybrid schemes formed by their combinations. In this work, the space-time conservation element solution element (CESE) method is used to simulate several flow problems including supersonic jet/shock interaction and its impact on launch vehicle acoustics, and direct numerical simulations of turbulent flows using tetrahedral meshes. This paper provides a status report for the continuing development of the space-time conservation element solution element (CESE) numerical and software framework under the Revolutionary Computational Aerosciences (RCA) project. Solution accuracy and large-scale parallel performance of the numerical framework is assessed with the goal of providing a viable paradigm for future high-fidelity flow physics simulations.
Morra, Elena; Giamello, Elio; Chiesa, Mario
2014-06-10
Transition-metal ions with open-shell configurations hold promise in the development of novel coordination chemistry and potentially unprecedented redox catalysis. Framework-substituted Ti(3+) ions with tetrahedral coordination are generated by reductive activation of titanium silicalite-1 with triethylaluminum, an indispensable co-catalyst for heterogeneous Ziegler-Natta polymerization catalysts. Continuous-wave and pulse electron paramagnetic resonance methods are applied to unravel details on the local environment of the reduced transition metal-ions, which are shown to be part of the silica framework by detection of (29)Si hyperfine interactions. The chemical accessibility of the reduced sites is probed using ammonia as probe molecule. Evidence is found for the coordination of a single ammonia molecule. Comparison to similar systems, such as TiAlPO-5, reveals clear differences in the coordination chemistry of the reduced Ti sites in the two solids, which may be understood considering the different electronic properties of the solid frameworks.
Interacting spin-1/2 tetrahedral system Cu2Te2O5X2 (X = Cl, Br)
Jensen, Jens
2009-01-01
, 064422 (2006)]. The calculated excitation spectra show many similarities with the experimental neutron-scattering results. Close to a magnetic Bragg point at 2 K, the theory predicts the presence of a quasielastic phason mode and an inelastic amplitude mode at about 0.6 meV. This is in qualitative...... agreement with experimental observations of Prša et al., but the amplitude mode is observed at the much higher energy of about 2.5 meV. This discrepancy is puzzling since the tetrahedral Cu-spin system, in any other respect, behaves as a system of large local spins coupled with each other in a three......-dimensional fashion. Preliminary model calculations for the Cu2Te2O5Br2 system lead to the same conclusion. Udgivelsesdato: 7. Januar...
Polyploidy Induction of Pteroceltis tatarinowii Maxim
Lin ZHANG; Feng WANG; Zhongkui SUN; Cuicui ZHU; Rongwei CHEN
2015-01-01
3%Objective] This study was conducted to obtain tetraploid Pteroceltis tatari-nowi Maxim. with excel ent ornamental traits. [Method] The stem apex growing points of Pteroceltis tatarinowi Maxim. were treated with different concentrations of colchicine solution for different hours to figure out a proper method and obtain poly-ploids. [Result] The most effective induction was obtained by treatment with 0.6%-0.8% colchicine for 72 h with 34.2% mutation rate. Flow cytometry and chromosome observation of the stem apex growing point of P. tatarinowi Maxim. proved that the tetraploid plants were successful y obtained with chromosome number 2n=4x=36. [Conclusion] The result not only fil s the blank of polyploid breeding of P. tatarinowi , but also provides an effective way to broaden the methods of cultivation of fast-growing, high-quality, disease-resilience, new varieties of Pteroceltis.
Quantum theory allows for absolute maximal contextuality
Amaral, Barbara; Cunha, Marcelo Terra; Cabello, Adán
2015-12-01
Contextuality is a fundamental feature of quantum theory and a necessary resource for quantum computation and communication. It is therefore important to investigate how large contextuality can be in quantum theory. Linear contextuality witnesses can be expressed as a sum S of n probabilities, and the independence number α and the Tsirelson-like number ϑ of the corresponding exclusivity graph are, respectively, the maximum of S for noncontextual theories and for the theory under consideration. A theory allows for absolute maximal contextuality if it has scenarios in which ϑ /α approaches n . Here we show that quantum theory allows for absolute maximal contextuality despite what is suggested by the examination of the quantum violations of Bell and noncontextuality inequalities considered in the past. Our proof is not constructive and does not single out explicit scenarios. Nevertheless, we identify scenarios in which quantum theory allows for almost-absolute-maximal contextuality.
The maximal process of nonlinear shot noise
Eliazar, Iddo; Klafter, Joseph
2009-05-01
In the nonlinear shot noise system-model shots’ statistics are governed by general Poisson processes, and shots’ decay-dynamics are governed by general nonlinear differential equations. In this research we consider a nonlinear shot noise system and explore the process tracking, along time, the system’s maximal shot magnitude. This ‘maximal process’ is a stationary Markov process following a decay-surge evolution; it is highly robust, and it is capable of displaying both a wide spectrum of statistical behaviors and a rich variety of random decay-surge sample-path trajectories. A comprehensive analysis of the maximal process is conducted, including its Markovian structure, its decay-surge structure, and its correlation structure. All results are obtained analytically and in closed-form.
Energy Band Calculations for Maximally Even Superlattices
Krantz, Richard; Byrd, Jason
2007-03-01
Superlattices are multiple-well, semiconductor heterostructures that can be described by one-dimensional potential wells separated by potential barriers. We refer to a distribution of wells and barriers based on the theory of maximally even sets as a maximally even superlattice. The prototypical example of a maximally even set is the distribution of white and black keys on a piano keyboard. Black keys may represent wells and the white keys represent barriers. As the number of wells and barriers increase, efficient and stable methods of calculation are necessary to study these structures. We have implemented a finite-element method using the discrete variable representation (FE-DVR) to calculate E versus k for these superlattices. Use of the FE-DVR method greatly reduces the amount of calculation necessary for the eigenvalue problem.
Vaidya, Shefali; Tewary, Subrata; Singh, Saurabh Kumar; Langley, Stuart K; Murray, Keith S; Lan, Yanhua; Wernsdorfer, Wolfgang; Rajaraman, Gopalan; Shanmugam, Maheswaran
2016-10-03
A family of mononuclear tetrahedral cobalt(II) thiourea complexes, [Co(L1)4](NO3)2 (1) and [Co(Lx)4](ClO4)2 where x = 2 (2), 3 (3), 4 (4) (where L1 = thiourea, L2 = 1,3-dibutylthiourea, L3 = 1,3-phenylethylthiourea, and L4 = 1,1,3,3-tetramethylthiourea), has been synthesized using a rationally designed synthetic approach, with the aim of stabilizing an Ising-type magnetic anisotropy (-D). On the basis of direct-current, alternating-current, and hysteresis magnetic measurements and theoretical calculations, we have identified the factors that govern the sign and magnitude of D and ultimately the ability to design a single-ion magnet for a tetrahedral cobalt(II) ion. To better understand the magnetization relaxation dynamics, particularly for complexes 1 and 2, dilution experiments were performed using their diamagnetic analogues, which are characterized by single-crystal X-ray diffraction with the general molecular formulas of [Zn(L1)4](NO3)2 (5) and [Zn(L2)4](ClO4)2 (6). Interestingly, intermolecular interactions are shown to play a role in quenching the quantum tunneling of magnetization in zero field, as evidenced in the hysteresis loop of 1. Complex 2 exhibits the largest Ueff value of 62 cm(-1) and reveals open hysteresis loops below 4 K. Furthermore, the influence of the hyperfine interaction on the magnetization relaxation dynamics is witnessed in the hysteresis loops, allowing us to determine the electron/nuclear spin S(Co) = (3)/2/I(Co) = (7)/2 hyperfine coupling constant of 550 MHz, a method ideally suited to determine the hyperfine coupling constant of highly anisotropic metal ions stabilized with large D value, which are otherwise hard to determine by conventional methods such as electron paramagnetic resonance.
Jing, Longfei; Jiang, Shaoen; Kuang, Longyu; Zhang, Lu; Li, Liling; Lin, Zhiwei; Li, Hang; Zheng, Jianhua; Hu, Feng; Huang, Yunbao; Huang, Tianxuan; Ding, Yongkun
2017-04-01
A tetrahedral hohlraum with four half-cylindrical cavities (FHCH) is proposed to balance tradeoffs among the drive symmetry, coupling efficiency, and plasma filling of the hohlraum performance for indirectly driven inertial confinement fusion. The peak drive symmetry in the FHCH with a cavity-to-capsule ratio (CCR) of 2.2 is comparable to those in the spherical hohlraum of CCR = 4.5 with six laser entrance holes (6LEHs-Sph.) ((Lan et al 2014 Phys. Plasmas 21 010704) and three-axis cylindrical hohlraum (6LEHs-Cyls.) of CCR = 2.0 (Kuang et al 2016 Sci. Rep. 6 34636), and the filling time of plasma is close to the ones in the 6LEHs-Cyls. and the ignition target Rev5-CH of the national ignition campaign, and about half of that in the 6LEHs-Sph. In particular, the coupling efficiency is about 19% and 16% higher than those of the 6LEHs-Sph. and 6LEHs-Cyls., respectively. Besides, preliminary study indicates that the FHCH has a robust symmetry to uncertainties of power imbalance and pointing errors of laser beams. Furthermore, utilizing the FHCH, the feasibility of a tetrahedral indirect drive approach on the national ignition facility and hybrid indirect–direct drive approach with the laser arrangement designed specially for 6LEHs-Sph. or 6LEHs-Cyls., is also envisioned. Therefore, the proposed hohlraum configuration merits consideration as an alternative route to indirect-drive ignition.
Absence of parasympathetic reactivation after maximal exercise.
de Oliveira, Tiago Peçanha; de Alvarenga Mattos, Raphael; da Silva, Rhenan Bartels Ferreira; Rezende, Rafael Andrade; de Lima, Jorge Roberto Perrout
2013-03-01
The ability of the human organism to recover its autonomic balance soon after physical exercise cessation has an important impact on the individual's health status. Although the dynamics of heart rate recovery after maximal exercise has been studied, little is known about heart rate variability after this type of exercise. The aim of this study is to analyse the dynamics of heart rate and heart rate variability recovery after maximal exercise in healthy young men. Fifteen healthy male subjects (21·7 ± 3·4 years; 24·0 ± 2·1 kg m(-2) ) participated in the study. The experimental protocol consisted of an incremental maximal exercise test on a cycle ergometer, until maximal voluntary exhaustion. After the test, recovery R-R intervals were recorded for 5 min. From the absolute differences between peak heart rate values and the heart rate values at 1 and 5 min of the recovery, the heart rate recovery was calculated. Postexercise heart rate variability was analysed from calculations of the SDNN and RMSSD indexes, in 30-s windows (SDNN(30s) and RMSSD(30s) ) throughout recovery. One and 5 min after maximal exercise cessation, the heart rate recovered 34·7 (±6·6) and 75·5 (±6·1) bpm, respectively. With regard to HRV recovery, while the SDNN(30s) index had a slight increase, RMSSD(30s) index remained totally suppressed throughout the recovery, suggesting an absence of vagal modulation reactivation and, possibly, a discrete sympathetic withdrawal. Therefore, it is possible that the main mechanism associated with the fall of HR after maximal exercise is sympathetic withdrawal or a vagal tone restoration without vagal modulation recovery. © 2012 The Authors Clinical Physiology and Functional Imaging © 2012 Scandinavian Society of Clinical Physiology and Nuclear Medicine.
Maximizing band gaps in plate structures
Halkjær, Søren; Sigmund, Ole; Jensen, Jakob Søndergaard
2006-01-01
Band gaps, i.e., frequency ranges in which waves cannot propagate, can be found in elastic structures for which there is a certain periodic modulation of the material properties or structure. In this paper, we maximize the band gap size for bending waves in a Mindlin plate. We analyze an infinite...... periodic plate using Bloch theory, which conveniently reduces the maximization problem to that of a single base cell. Secondly, we construct a finite periodic plate using a number of the optimized base cells in a postprocessed version. The dynamic properties of the finite plate are investigated...
Maximal and Minimal Congruences on Some Semigroups
Jintana SANWONG; Boorapa SINGHA; R.P.SULLIVAN
2009-01-01
In 2006,Sanwong and Sullivan described the maximal congruences on the semigroup N consisting of all non-negative integers under standard multiplication,and on the semigroup T(X) consisting of all total transformations of an infinite set X under composition. Here,we determine all maximal congruences on the semigroup Zn under multiplication modulo n. And,when Y X,we do the same for the semigroup T(X,Y) consisting of all elements of T(X) whose range is contained in Y. We also characterise the minimal congruences on T(X,Y).
Maximizing oil yields may not optimize economics
1987-03-01
The Los Alamos National Laboratory has used the ASPEN computer code to calculate the economics of different hydroretorting conditions. When the oil yield was maximized and a oil shale plant designed around this process, the costs turned out much higher than expected. However, calculations based on runs of less than maximum yields showed lower cost estimates. It is recommended that future efforts should be concentrated on minimizing production costs rather than maximizing yields. An oil shale plant has been designed around minimum production cost, but has not been able to be tested experimentally.
Maximal Inequalities for Dependent Random Variables
Hoffmann-Jorgensen, Jorgen
2016-01-01
Maximal inequalities play a crucial role in many probabilistic limit theorem; for instance, the law of large numbers, the law of the iterated logarithm, the martingale limit theorem and the central limit theorem. Let X-1, X-2,... be random variables with partial sums S-k = X-1 + ... + X-k. Then a......Maximal inequalities play a crucial role in many probabilistic limit theorem; for instance, the law of large numbers, the law of the iterated logarithm, the martingale limit theorem and the central limit theorem. Let X-1, X-2,... be random variables with partial sums S-k = X-1 + ... + X...
Singularity Structure of Maximally Supersymmetric Scattering Amplitudes
Arkani-Hamed, Nima; Bourjaily, Jacob L.; Cachazo, Freddy
2014-01-01
We present evidence that loop amplitudes in maximally supersymmetric (N=4) Yang-Mills theory (SYM) beyond the planar limit share some of the remarkable structures of the planar theory. In particular, we show that through two loops, the four-particle amplitude in full N=4 SYM has only logarithmic ...... singularities and is free of any poles at infinity—properties closely related to uniform transcendentality and the UV finiteness of the theory. We also briefly comment on implications for maximal (N=8) supergravity theory (SUGRA)....
Strečka, Jozef; Rojas, Onofre; Verkholyak, Taras; Lyra, Marcelo L
2014-02-01
The frustrated spin-1/2 Ising-Heisenberg ladder with Heisenberg intra-rung and Ising inter-rung interactions is exactly solved in a longitudinal magnetic field by taking advantage of the local conservation of the total spin on each rung and the transfer-matrix method. We have rigorously calculated the ground-state phase diagram, magnetization process, magnetocaloric effect, and basic thermodynamic quantities for the model, which can be alternatively viewed as an Ising-Heisenberg tetrahedral chain. It is demonstrated that a stepwise magnetization curve with an intermediate plateau at half of the saturation magnetization is also reflected in respective stepwise changes of the concurrence serving as a measure of bipartite entanglement. The ground-state phase diagram and zero-temperature magnetization curves of the Ising-Heisenberg tetrahedral chain are contrasted with the analogous results of the purely quantum Heisenberg tetrahedral chain, which have been obtained through density-matrix renormalization group (DMRG) calculations. While both ground-state phase diagrams fully coincide in the regime of weak inter-rung interaction, the purely quantum Heisenberg tetrahedral chain develops Luttinger spin-liquid and Haldane phases for strongly coupled rungs, which are absent in the Ising-Heisenberg counterpart model.
Cycle-maximal triangle-free graphs
Durocher, Stephane; Gunderson, David S.; Li, Pak Ching;
2015-01-01
Abstract We conjecture that the balanced complete bipartite graph K ⌊ n / 2 ⌋ , ⌈ n / 2 ⌉ contains more cycles than any other n -vertex triangle-free graph, and we make some progress toward proving this. We give equivalent conditions for cycle-maximal triangle-free graphs; show bounds...
Gradient dynamics and entropy production maximization
Janečka, Adam
2016-01-01
Gradient dynamics describes irreversible evolution by means of a dissipation potential, which leads to several advantageous features like Maxwell--Onsager relations, distinguishing between thermodynamic forces and fluxes or geometrical interpretation of the dynamics. Entropy production maximization is a powerful tool for predicting constitutive relations in engineering. In this paper, both approaches are compared and their shortcomings and advantages are discussed.
Robust Utility Maximization Under Convex Portfolio Constraints
Matoussi, Anis, E-mail: anis.matoussi@univ-lemans.fr [Université du Maine, Risk and Insurance institut of Le Mans Laboratoire Manceau de Mathématiques (France); Mezghani, Hanen, E-mail: hanen.mezghani@lamsin.rnu.tn; Mnif, Mohamed, E-mail: mohamed.mnif@enit.rnu.tn [University of Tunis El Manar, Laboratoire de Modélisation Mathématique et Numérique dans les Sciences de l’Ingénieur, ENIT (Tunisia)
2015-04-15
We study a robust maximization problem from terminal wealth and consumption under a convex constraints on the portfolio. We state the existence and the uniqueness of the consumption–investment strategy by studying the associated quadratic backward stochastic differential equation. We characterize the optimal control by using the duality method and deriving a dynamic maximum principle.
Maximizing the Motivated Mind for Emergent Giftedness.
Rea, Dan
2001-01-01
This article explains how the theory of the motivated mind conceptualizes the productive interaction of intelligence, creativity, and achievement motivation and how this theory can help educators to maximize students' emergent potential for giftedness. It discusses the integration of cold-order thinking and hot-chaotic thinking into fluid-adaptive…
The Winning Edge: Maximizing Success in College.
Schmitt, David E.
This book offers college students ideas on how to maximize their success in college by examining the personal management techniques a student needs to succeed. Chapters are as follows: "Getting and Staying Motivated"; "Setting Goals and Tapping Your Resources"; "Conquering Time"; "Think Yourself to College Success"; "Understanding and Remembering…
MAXIMAL ELEMENTS AND EQUILIBRIUM OF ABSTRACT ECONOMY
刘心歌; 蔡海涛
2001-01-01
An existence theorem of maximal elements for a new type of preference correspondences which are Qθ-majorized is given. Then some existence theorems of equilibrium for abstract economy and qualitative game in which the constraint or preference correspondences are Qθ-majorized are obtained in locally convex topological vector spaces.
DNA solution of the maximal clique problem.
Ouyang, Q; Kaplan, P D; Liu, S; Libchaber, A
1997-10-17
The maximal clique problem has been solved by means of molecular biology techniques. A pool of DNA molecules corresponding to the total ensemble of six-vertex cliques was built, followed by a series of selection processes. The algorithm is highly parallel and has satisfactory fidelity. This work represents further evidence for the ability of DNA computing to solve NP-complete search problems.
Maximal workload capacity on moving platforms
Heus, R.; Wertheim, A.H.
1996-01-01
Physical tasks on a moving platform required more energy than the same tasks on a non-moving platform. In this study the maximum aerobic performance (defined as V_O2max) of people working on a moving floor was established compared to the maximal aerobic performance on a non-moving floor. The main
Maximal workload capacity on moving platforms
Heus, R.; Wertheim, A.H.
1996-01-01
Physical tasks on a moving platform required more energy than the same tasks on a non-moving platform. In this study the maximum aerobic performance (defined as V_O2max) of people working on a moving floor was established compared to the maximal aerobic performance on a non-moving floor. The main qu
Maximizing Resource Utilization in Video Streaming Systems
Alsmirat, Mohammad Abdullah
2013-01-01
Video streaming has recently grown dramatically in popularity over the Internet, Cable TV, and wire-less networks. Because of the resource demanding nature of video streaming applications, maximizing resource utilization in any video streaming system is a key factor to increase the scalability and decrease the cost of the system. Resources to…
Maximizing throughput in an automated test system
朱君
2007-01-01
@@ Overview This guide is collection of whitepapers designed to help you develop test systems that lower your cost, increase your test throughput, and can scale with future requirements. This whitepaper provides strategies for maximizing system throughput. To download the complete developers guide (120 pages), visit ni. com/automatedtest.
The gaugings of maximal D=6 supergravity
Bergshoeff, E.; Samtleben, H.; Sezgin, E.
2008-01-01
We construct the most general gaugings of the maximal D = 6 supergravity. The theory is ( 2, 2) supersymmetric, and possesses an on-shell SO( 5, 5) duality symmetry which plays a key role in determining its couplings. The field content includes 16 vector fields that carry a chiral spinor representat
WEIGHTED BOUNDEDNESS OF A ROUGH MAXIMAL OPERATOR
无
2000-01-01
In this note the authors give the weighted Lp-boundedness fora class of maximal singular integral operators with rough kernel.The result in this note is an improvement and extension ofthe result obtained by Chen and Lin in 1990.
Maximizing the Range of a Projectile.
Brown, Ronald A.
1992-01-01
Discusses solutions to the problem of maximizing the range of a projectile. Presents three references that solve the problem with and without the use of calculus. Offers a fourth solution suitable for introductory physics courses that relies more on trigonometry and the geometry of the problem. (MDH)
Ehrenfest's Lottery--Time and Entropy Maximization
Ashbaugh, Henry S.
2010-01-01
Successful teaching of the Second Law of Thermodynamics suffers from limited simple examples linking equilibrium to entropy maximization. I describe a thought experiment connecting entropy to a lottery that mixes marbles amongst a collection of urns. This mixing obeys diffusion-like dynamics. Equilibrium is achieved when the marble distribution is…
Testing maximality in muon neutrino flavor mixing
Choubey, S; Choubey, Sandhya; Roy, Probir
2003-01-01
The small difference between the survival probabilities of muon neutrino and antineutrino beams, traveling through earth matter in a long baseline experiment such as MINOS, is shown to be an important measure of any possible deviation from maximality in the flavor mixing of those states.
Average utility maximization: A preference foundation
A.V. Kothiyal (Amit); V. Spinu (Vitalie); P.P. Wakker (Peter)
2014-01-01
textabstractThis paper provides necessary and sufficient preference conditions for average utility maximization over sequences of variable length. We obtain full generality by using a new algebraic technique that exploits the richness structure naturally provided by the variable length of the sequen
On the Hardy-Littlewood maximal theorem
Shinji Yamashita
1982-01-01
Full Text Available The Hardy-Littlewood maximal theorem is extended to functions of class PL in the sense of E. F. Beckenbach and T. Radó, with a more precise expression of the absolute constant in the inequality. As applications we deduce some results on hyperbolic Hardy classes in terms of the non-Euclidean hyperbolic distance in the unit disk.
Maximal Cartel Pricing and Leniency Programs
Houba, H.E.D.; Motchenkova, E.; Wen, Q.
2008-01-01
For a general class of oligopoly models with price competition, we analyze the impact of ex-ante leniency programs in antitrust regulation on the endogenous maximal-sustainable cartel price. This impact depends upon industry characteristics including its cartel culture. Our analysis disentangles the
How to Generate Good Profit Maximization Problems
Davis, Lewis
2014-01-01
In this article, the author considers the merits of two classes of profit maximization problems: those involving perfectly competitive firms with quadratic and cubic cost functions. While relatively easy to develop and solve, problems based on quadratic cost functions are too simple to address a number of important issues, such as the use of…
Ehrenfest's Lottery--Time and Entropy Maximization
Ashbaugh, Henry S.
2010-01-01
Successful teaching of the Second Law of Thermodynamics suffers from limited simple examples linking equilibrium to entropy maximization. I describe a thought experiment connecting entropy to a lottery that mixes marbles amongst a collection of urns. This mixing obeys diffusion-like dynamics. Equilibrium is achieved when the marble distribution is…
Maximally entangled mixed states made easy
Aiello, A; Voigt, D; Woerdman, J P
2006-01-01
We show that, contrarily to a recent claim [M. Ziman and V. Bu\\v{z}ek, Phys. Rev. A. \\textbf{72}, 052325 (2005)], it is possible to achieve maximally entangled mixed states of two qubits from the singlet state via the action of local nonunital quantum channels. Moreover, we present a simple, feasible linear optical implementation of one of such channels.
Maximizing Resource Utilization in Video Streaming Systems
Alsmirat, Mohammad Abdullah
2013-01-01
Video streaming has recently grown dramatically in popularity over the Internet, Cable TV, and wire-less networks. Because of the resource demanding nature of video streaming applications, maximizing resource utilization in any video streaming system is a key factor to increase the scalability and decrease the cost of the system. Resources to…
Maximizing scientific knowledge from randomized clinical trials
Gustafsson, Finn; Atar, Dan; Pitt, Bertram
2010-01-01
Trialists have an ethical and financial responsibility to plan and conduct clinical trials in a manner that will maximize the scientific knowledge gained from the trial. However, the amount of scientific information generated by randomized clinical trials in cardiovascular medicine is highly...
Maximal Heat Generation in Nanoscale Systems
ZHOU Li-Ling; LI Shu-Shen; ZENG Zhao-Yang
2009-01-01
We investigate the heat generation in a nanoscale system coupled to normal leads and find that it is maximal when the average occupation of the electrons in the nanoscale system is 0.5,no matter what mechanism induces the heat generation.
Understanding violations of Gricean maxims in preschoolers and adults.
Okanda, Mako; Asada, Kosuke; Moriguchi, Yusuke; Itakura, Shoji
2015-01-01
This study used a revised Conversational Violations Test to examine Gricean maxim violations in 4- to 6-year-old Japanese children and adults. Participants' understanding of the following maxims was assessed: be informative (first maxim of quantity), avoid redundancy (second maxim of quantity), be truthful (maxim of quality), be relevant (maxim of relation), avoid ambiguity (second maxim of manner), and be polite (maxim of politeness). Sensitivity to violations of Gricean maxims increased with age: 4-year-olds' understanding of maxims was near chance, 5-year-olds understood some maxims (first maxim of quantity and maxims of quality, relation, and manner), and 6-year-olds and adults understood all maxims. Preschoolers acquired the maxim of relation first and had the greatest difficulty understanding the second maxim of quantity. Children and adults differed in their comprehension of the maxim of politeness. The development of the pragmatic understanding of Gricean maxims and implications for the construction of developmental tasks from early childhood to adulthood are discussed.
Understanding Violations of Gricean Maxims in Preschoolers and Adults
Mako eOkanda
2015-07-01
Full Text Available This study used a revised Conversational Violations Test to examine Gricean maxim violations in 4- to 6-year-old Japanese children and adults. Participants’ understanding of the following maxims was assessed: be informative (first maxim of quantity, avoid redundancy (second maxim of quantity, be truthful (maxim of quality, be relevant (maxim of relation, avoid ambiguity (second maxim of manner, and be polite (maxim of politeness. Sensitivity to violations of Gricean maxims increased with age: 4-year-olds’ understanding of maxims was near chance, 5-year-olds understood some maxims (first maxim of quantity and maxims of quality, relation, and manner, and 6-year-olds and adults understood all maxims. Preschoolers acquired the maxim of relation first and had the greatest difficulty understanding the second maxim of quantity. Children and adults differed in their comprehension of the maxim of politeness. The development of the pragmatic understanding of Gricean maxims and implications for the construction of developmental tasks from early childhood to adulthood are discussed.
Measurable Maximal Energy and Minimal Time Interval
Dahab, Eiman Abou El
2014-01-01
The possibility of finding the measurable maximal energy and the minimal time interval is discussed in different quantum aspects. It is found that the linear generalized uncertainty principle (GUP) approach gives a non-physical result. Based on large scale Schwarzshild solution, the quadratic GUP approach is utilized. The calculations are performed at the shortest distance, at which the general relativity is assumed to be a good approximation for the quantum gravity and at larger distances, as well. It is found that both maximal energy and minimal time have the order of the Planck time. Then, the uncertainties in both quantities are accordingly bounded. Some physical insights are addressed. Also, the implications on the physics of early Universe and on quantized mass are outlined. The results are related to the existence of finite cosmological constant and minimum mass (mass quanta).
Maximal temperature in a simple thermodynamical system
Dai, De-Chang
2016-01-01
Temperature in a simple thermodynamical system is not limited from above. It is also widely believed that it does not make sense talking about temperatures higher than the Planck temperature in the absence of the full theory of quantum gravity. Here, we demonstrate that there exist a maximal achievable temperature in a system where particles obey the laws of quantum mechanics and classical gravity before we reach the realm of quantum gravity. Namely, if two particles with a given center of mass energy come at the distance shorter than the Schwarzschild diameter apart, according to classical gravity they will form a black hole. It is possible to calculate that a simple thermodynamical system will be dominated by black holes at a critical temperature which is about three times lower than the Planck temperature. That represents the maximal achievable temperature in a simple thermodynamical system.
Hamiltonian formalism and path entropy maximization
Davis, Sergio; González, Diego
2015-10-01
Maximization of the path information entropy is a clear prescription for constructing models in non-equilibrium statistical mechanics. Here it is shown that, following this prescription under the assumption of arbitrary instantaneous constraints on position and velocity, a Lagrangian emerges which determines the most probable trajectory. Deviations from the probability maximum can be consistently described as slices in time by a Hamiltonian, according to a nonlinear Langevin equation and its associated Fokker-Planck equation. The connections unveiled between the maximization of path entropy and the Langevin/Fokker-Planck equations imply that missing information about the phase space coordinate never decreases in time, a purely information-theoretical version of the second law of thermodynamics. All of these results are independent of any physical assumptions, and thus valid for any generalized coordinate as a function of time, or any other parameter. This reinforces the view that the second law is a fundamental property of plausible inference.
Predicting Contextual Sequences via Submodular Function Maximization
Dey, Debadeepta; Hebert, Martial; Bagnell, J Andrew
2012-01-01
Sequence optimization, where the items in a list are ordered to maximize some reward has many applications such as web advertisement placement, search, and control libraries in robotics. Previous work in sequence optimization produces a static ordering that does not take any features of the item or context of the problem into account. In this work, we propose a general approach to order the items within the sequence based on the context (e.g., perceptual information, environment description, and goals). We take a simple, efficient, reduction-based approach where the choice and order of the items is established by repeatedly learning simple classifiers or regressors for each "slot" in the sequence. Our approach leverages recent work on submodular function maximization to provide a formal regret reduction from submodular sequence optimization to simple cost-sensitive prediction. We apply our contextual sequence prediction algorithm to optimize control libraries and demonstrate results on two robotics problems: ...
Nonlinear trading models through Sharpe Ratio maximization.
Choey, M; Weigend, A S
1997-08-01
While many trading strategies are based on price prediction, traders in financial markets are typically interested in optimizing risk-adjusted performance such as the Sharpe Ratio, rather than the price predictions themselves. This paper introduces an approach which generates a nonlinear strategy that explicitly maximizes the Sharpe Ratio. It is expressed as a neural network model whose output is the position size between a risky and a risk-free asset. The iterative parameter update rules are derived and compared to alternative approaches. The resulting trading strategy is evaluated and analyzed on both computer-generated data and real world data (DAX, the daily German equity index). Trading based on Sharpe Ratio maximization compares favorably to both profit optimization and probability matching (through cross-entropy optimization). The results show that the goal of optimizing out-of-sample risk-adjusted profit can indeed be achieved with this nonlinear approach.
Maximally Symmetric Spacetimes emerging from thermodynamic fluctuations
Bravetti, A; Quevedo, H
2015-01-01
In this work we prove that the maximally symmetric vacuum solutions of General Relativity emerge from the geometric structure of statistical mechanics and thermodynamic fluctuation theory. To present our argument, we begin by showing that the pseudo-Riemannian structure of the Thermodynamic Phase Space is a solution to the vacuum Einstein-Gauss-Bonnet theory of gravity with a cosmological constant. Then, we use the geometry of equilibrium thermodynamics to demonstrate that the maximally symmetric vacuum solutions of Einstein's Field Equations -- Minkowski, de-Sitter and Anti-de-Sitter spacetimes -- correspond to thermodynamic fluctuations. Moreover, we argue that these might be the only possible solutions that can be derived in this manner. Thus, the results presented here are the first concrete examples of spacetimes effectively emerging from the thermodynamic limit over an unspecified microscopic theory without any further assumptions.
Consistent 4-form fluxes for maximal supergravity
Godazgar, Hadi; Krueger, Olaf; Nicolai, Hermann
2015-01-01
We derive new ansaetze for the 4-form field strength of D=11 supergravity corresponding to uplifts of four-dimensional maximal gauged supergravity. In particular, the ansaetze directly yield the components of the 4-form field strength in terms of the scalars and vectors of the four-dimensional maximal gauged supergravity---in this way they provide an explicit uplift of all four-dimensional consistent truncations of D=11 supergravity. The new ansaetze provide a substantially simpler method for uplifting d=4 flows compared to the previously available method using the 3-form and 6-form potential ansaetze. The ansatz for the Freund-Rubin term allows us to conjecture a `master formula' for the latter in terms of the scalar potential of d=4 gauged supergravity and its first derivative. We also resolve a long-standing puzzle concerning the antisymmetry of the flux obtained from uplift ansaetze.
Modularity maximization using completely positive programming
Yazdanparast, Sakineh; Havens, Timothy C.
2017-04-01
Community detection is one of the most prominent problems of social network analysis. In this paper, a novel method for Modularity Maximization (MM) for community detection is presented which exploits the Alternating Direction Augmented Lagrangian (ADAL) method for maximizing a generalized form of Newman's modularity function. We first transform Newman's modularity function into a quadratic program and then use Completely Positive Programming (CPP) to map the quadratic program to a linear program, which provides the globally optimal maximum modularity partition. In order to solve the proposed CPP problem, a closed form solution using the ADAL merged with a rank minimization approach is proposed. The performance of the proposed method is evaluated on several real-world data sets used for benchmarks community detection. Simulation results shows the proposed technique provides outstanding results in terms of modularity value for crisp partitions.
Kortan, Victoria Ramaker
It has become increasingly apparent that the future of electronic devices can and will rely on the functionality provided by single or few dopant atoms. The most scalable physical system for quantum technologies, i.e. sensing, communication and computation, are spins in crystal lattices. Diamond is an excellent host crystal offering long room temperature spin coherence times and there has been exceptional experimental work done with the nitrogen vacancy center in diamond demonstrating many forms of spin control. Transition metal dopants have additional advantages, large spin-orbit interaction and internal core levels, that are not present in the nitrogen vacancy center. This work explores the implications of the internal degrees of freedom associated with the core d levels using a tight-binding model and the Koster-Slater technique. The core d levels split into two separate symmetry states in tetrahedral bonding environments and result in two levels with different wavefunction spatial extents. For 4 d semiconductors, e.g. GaAs, this is reproduced in the tight-binding model by adding a set of d orbitals on the location of the transition metal impurity and modifying the hopping parameters from impurity to its nearest neighbors. This model does not work in the case of 3d semiconductors, e.g. diamond, where there is no physical reason to drastically alter the hopping from 3 d dopant to host and the difference in wavefunction extent is not as pronounced. In the case of iron dopants in gallium arsenide the split symmetry levels in the band gap are responsible for a decrease in tunneling current when measured with a scanning tunneling microscope due to interference between two elastic tunneling paths and comparison between wavefunction measurements and tight-binding calculations provides information regarding material parameters. In the case of transition metal dopants in diamond there is less distinction between the symmetry split d levels. When considering pairs of
Utility maximization in incomplete markets with default
Lim, Thomas
2008-01-01
We adress the maximization problem of expected utility from terminal wealth. The special feature of this paper is that we consider a financial market where the price process of risky assets can have a default time. Using dynamic programming, we characterize the value function with a backward stochastic differential equation and the optimal portfolio policies. We separately treat the cases of exponential, power and logarithmic utility.
Operational Modal Analysis using Expectation Maximization Algorithm
Cara Cañas, Francisco Javier; Carpio Huertas, Jaime; Juan Ruiz, Jesús; Alarcón Álvarez, Enrique
2011-01-01
This paper presents a time-domain stochastic system identification method based on Maximum Likelihood Estimation and the Expectation Maximization algorithm. The effectiveness of this structural identification method is evaluated through numerical simulation in the context of the ASCE benchmark problem on structural health monitoring. Modal parameters (eigenfrequencies, damping ratios and mode shapes) of the benchmark structure have been estimated applying the proposed identification method...
Revenue Maximizing Head Starts in Contests
Franke, Jörg; Leininger, Wolfgang; Wasser, Cédric
2014-01-01
We characterize revenue maximizing head starts for all-pay auctions and lottery contests with many heterogeneous players. We show that under optimal head starts all-pay auctions revenue-dominate lottery contests for any degree of heterogeneity among players. Moreover, all-pay auctions with optimal head starts induce higher revenue than any multiplicatively biased all-pay auction or lottery contest. While head starts are more effective than multiplicative biases in all-pay auctions, they are l...
Approximate Revenue Maximization in Interdependent Value Settings
Chawla, Shuchi; Fu, Hu; Karlin, Anna
2014-01-01
We study revenue maximization in settings where agents' values are interdependent: each agent receives a signal drawn from a correlated distribution and agents' values are functions of all of the signals. We introduce a variant of the generalized VCG auction with reserve prices and random admission, and show that this auction gives a constant approximation to the optimal expected revenue in matroid environments. Our results do not require any assumptions on the signal distributions, however, ...
Li, Yan-An; Ren, Shu-Kui; Liu, Qi-Kui; Ma, Jian-Ping; Chen, Xueyuan; Zhu, Haomiao; Dong, Yu-Bin
2012-09-17
A porous heteroatom-rich Cd(II)-polymeric framework which is generated from an ethylene glycol ether-bridging dicarboxylate ligand L, 4,4'-bipy and Cd(II) ion is reported. It contains one-dimensional tubes (9-11 Å) which are able to trap cationic lanthanide hydrates such as Eu(H(2)O)(8)(3+), Tb(H(2)O)(8)(3+), and Nd(H(2)O)(8)(3+) under ambient conditions to generate Ln(H(2)O)(8)(3+)-loaded materials. In addition, the heteroatom-rich host material can effectively protect and sensitize the encapsulated Ln(3+) emitters in their hydrate form in both air and aqueous media. Furthermore, the dual- and bimodal-emissions are successfully realized by intercalation of the different Ln(3+)-hydrates based on a guest-driven approach.
Maximal supersymmetry and B-mode targets
Kallosh, Renata; Linde, Andrei; Wrase, Timm; Yamada, Yusuke
2017-04-01
Extending the work of Ferrara and one of the authors [1], we present dynamical cosmological models of α-attractors with plateau potentials for 3 α = 1, 2, 3, 4, 5, 6, 7. These models are motivated by geometric properties of maximally supersymmetric theories: M-theory, superstring theory, and maximal N = 8 supergravity. After a consistent truncation of maximal to minimal supersymmetry in a seven-disk geometry, we perform a two-step procedure: 1) we introduce a superpotential, which stabilizes the moduli of the seven-disk geometry in a supersymmetric minimum, 2) we add a cosmological sector with a nilpotent stabilizer, which breaks supersymmetry spontaneously and leads to a desirable class of cosmological attractor models. These models with n s consistent with observational data, and with tensor-to-scalar ratio r ≈ 10-2 - 10-3, provide natural targets for future B-mode searches. We relate the issue of stability of inflationary trajectories in these models to tessellations of a hyperbolic geometry.
Maximal respiratory pressures among adolescent swimmers.
Rocha Crispino Santos, M A; Pinto, M L; Couto Sant'Anna, C; Bernhoeft, M
2011-01-01
Maximal inspiratory pressures (MIP) and maximal expiratory pressures (MEP) are useful indices of respiratory muscle strength in athletes. The aims of this study were: to describe the strength of the respiratory muscles of Olympic junior swim team, at baseline and after a standard physical training; and to determine if there is a differential inspiratory and expiratory pressure response to the physical training. A cross-sectional study evaluated 28 international-level swimmers with ages ranging from 15 to 17 years, 19 (61 %) being males. At baseline, MIP was found to be lower in females (P = .001). The mean values reached by males and females were: MIP(cmH2O) = M: 100.4 (± 26.5)/F: 67.8 (± 23.2); MEP (cmH2O) = M: 87.4 (± 20.7)/F: 73.9 (± 17.3). After the physical training they reached: MIP (cmH2O) = M: 95.3 (± 30.3)/F: 71.8 (± 35.6); MEP (cmH2O) = M: 82.8 (± 26.2)/F: 70.4 (± 8.3). No differential pressure responses were observed in either males or females. These results suggest that swimmers can sustain the magnitude of the initial maximal pressures. Other studies should be developed to clarify if MIP and MEP could be used as a marker of an athlete's performance.
Cardiorespiratory Coordination in Repeated Maximal Exercise
Sergi Garcia-Retortillo
2017-06-01
Full Text Available Increases in cardiorespiratory coordination (CRC after training with no differences in performance and physiological variables have recently been reported using a principal component analysis approach. However, no research has yet evaluated the short-term effects of exercise on CRC. The aim of this study was to delineate the behavior of CRC under different physiological initial conditions produced by repeated maximal exercises. Fifteen participants performed 2 consecutive graded and maximal cycling tests. Test 1 was performed without any previous exercise, and Test 2 6 min after Test 1. Both tests started at 0 W and the workload was increased by 25 W/min in males and 20 W/min in females, until they were not able to maintain the prescribed cycling frequency of 70 rpm for more than 5 consecutive seconds. A principal component (PC analysis of selected cardiovascular and cardiorespiratory variables (expired fraction of O2, expired fraction of CO2, ventilation, systolic blood pressure, diastolic blood pressure, and heart rate was performed to evaluate the CRC defined by the number of PCs in both tests. In order to quantify the degree of coordination, the information entropy was calculated and the eigenvalues of the first PC (PC1 were compared between tests. Although no significant differences were found between the tests with respect to the performed maximal workload (Wmax, maximal oxygen consumption (VO2 max, or ventilatory threshold (VT, an increase in the number of PCs and/or a decrease of eigenvalues of PC1 (t = 2.95; p = 0.01; d = 1.08 was found in Test 2 compared to Test 1. Moreover, entropy was significantly higher (Z = 2.33; p = 0.02; d = 1.43 in the last test. In conclusion, despite the fact that no significant differences were observed in the conventionally explored maximal performance and physiological variables (Wmax, VO2 max, and VT between tests, a reduction of CRC was observed in Test 2. These results emphasize the interest of CRC
Cardiorespiratory Coordination in Repeated Maximal Exercise.
Garcia-Retortillo, Sergi; Javierre, Casimiro; Hristovski, Robert; Ventura, Josep L; Balagué, Natàlia
2017-01-01
Increases in cardiorespiratory coordination (CRC) after training with no differences in performance and physiological variables have recently been reported using a principal component analysis approach. However, no research has yet evaluated the short-term effects of exercise on CRC. The aim of this study was to delineate the behavior of CRC under different physiological initial conditions produced by repeated maximal exercises. Fifteen participants performed 2 consecutive graded and maximal cycling tests. Test 1 was performed without any previous exercise, and Test 2 6 min after Test 1. Both tests started at 0 W and the workload was increased by 25 W/min in males and 20 W/min in females, until they were not able to maintain the prescribed cycling frequency of 70 rpm for more than 5 consecutive seconds. A principal component (PC) analysis of selected cardiovascular and cardiorespiratory variables (expired fraction of O2, expired fraction of CO2, ventilation, systolic blood pressure, diastolic blood pressure, and heart rate) was performed to evaluate the CRC defined by the number of PCs in both tests. In order to quantify the degree of coordination, the information entropy was calculated and the eigenvalues of the first PC (PC1) were compared between tests. Although no significant differences were found between the tests with respect to the performed maximal workload (Wmax), maximal oxygen consumption (VO2 max), or ventilatory threshold (VT), an increase in the number of PCs and/or a decrease of eigenvalues of PC1 (t = 2.95; p = 0.01; d = 1.08) was found in Test 2 compared to Test 1. Moreover, entropy was significantly higher (Z = 2.33; p = 0.02; d = 1.43) in the last test. In conclusion, despite the fact that no significant differences were observed in the conventionally explored maximal performance and physiological variables (Wmax, VO2 max, and VT) between tests, a reduction of CRC was observed in Test 2. These results emphasize the interest of CRC evaluation in
Tun Seng Herng[1,2; Wen Xiao[1; Sock Mui Poh[2,3; Feizhou He[5; Ronny Sutarto[5; Xiaojian Zhu[6; Runwei Li[6; Xinmao Yin[2,3,4; Caozheng Diao[2; Yang Yang[1; Xuelian Huang[1; Xiaojiang Yu[2; Yuan Ping Feng[4; AndrivoRusydi[2,3,4; Jun Ding[1
2015-01-01
Magnetite Fe304 （ferrite） has attracted considerable interest for its exceptional physical properties： It is predicted to be a semimetallic ferromagnetic with a high Curie temperature, it displays a metal-insulator transition, and has potential oxide-electronics applications. Here, we fabricate a high-magnetization （〉 1 Tesla） high-resistance （-0.1 Ωcm） sub-nanostructured （grain size 〈 3 nm） Fe304 film via grain-size control and nano-engineering. We report a new phenomenon of spin- flipping of the valence-spin tetrahedral FeB＊ in the sub-nanostructured Fe304 film, which produces the high magnetization. Using soft X-ray magnetic circular dichroism and soft X-ray absorption, both at the Fe L3,2- and O K-edges, and supported by first-principles and charge-transfer multiple calculations, we observe an anomalous enhancement of double exchange, accompanied by a suppression of the superexchange interactions because of the spin-flipping mechanism via oxygen at the grain boundaries. Our result may open avenues for developing spin- manipulated giant magnetic Fe304-based compounds via nano-grain size control.
Nikitin, A. V., E-mail: avn@lts.iao.ru [Laboratory of Theoretical Spectroscopy, V.E. Zuev Institute of Atmospheric Optics, SB RAS, 1, Academician Zuev square, 634021 Tomsk (Russian Federation); Tomsk State University, 36 Lenin Avenue, 634050 Tomsk (Russian Federation); Rey, M.; Tyuterev, Vl. G. [Groupe de Spectrométrie Moléculaire et Atmosphérique, UMR CNRS 7331, Université de Reims, U.F.R. Sciences, B.P. 1039, 51687 Cedex 2 Reims (France)
2015-03-07
A simultaneous use of the full molecular symmetry and of an exact kinetic energy operator (KEO) is of key importance for accurate predictions of vibrational levels at a high energy range from a potential energy surface (PES). An efficient method that permits a fast convergence of variational calculations would allow iterative optimization of the PES parameters using experimental data. In this work, we propose such a method applied to tetrahedral AB{sub 4} molecules for which a use of high symmetry is crucial for vibrational calculations. A symmetry-adapted contracted angular basis set for six redundant angles is introduced. Simple formulas using this basis set for explicit calculation of the angular matrix elements of KEO and PES are reported. The symmetric form (six redundant angles) of vibrational KEO without the sin(q){sup −2} type singularity is derived. The efficient recursive algorithm based on the tensorial formalism is used for the calculation of vibrational matrix elements. A good basis set convergence for the calculations of vibrational levels of the CH{sub 4} molecule is demonstrated.
Wang Guigen, E-mail: wanggghit@yahoo.com [Shenzhen Graduate School, Harbin Institute of Technology, Shenzhen 518055 (China); Kuang Xuping; Zhang Huayu; Zhu Can [Shenzhen Graduate School, Harbin Institute of Technology, Shenzhen 518055 (China); Han Jiecai [Shenzhen Graduate School, Harbin Institute of Technology, Shenzhen 518055 (China); Center for Composite Materials, Harbin Institute of Technology, Harbin 150080 (China); Zuo Hongbo [Center for Composite Materials, Harbin Institute of Technology, Harbin 150080 (China); Ma Hongtao [SAE Technologies Development (Dongguan) Co., Ltd., Dongguan 523087 (China)
2011-12-15
Highlights: Black-Right-Pointing-Pointer The ultra-thin carbon films with different silicon nitride (Si-N) film underlayers were prepared. Black-Right-Pointing-Pointer It highlighted the influences of Si-N underlayers. Black-Right-Pointing-Pointer The carbon films with Si-N underlayers obtained by nitriding especially at the substrate bias of -150 V, can exhibit better corrosion protection properties - Abstract: There are higher technical requirements for protection overcoat of magnetic recording slider used in high-density storage fields for the future. In this study, silicon nitride (Si-N) composition-gradient films were firstly prepared by nitriding of silicon thin films pre-sputtered on silicon wafers and magnetic recording sliders, using microwave electron cyclotron resonance plasma source. The ultra-thin tetrahedral amorphous carbon films were then deposited on the Si-N films by filtered cathodic vacuum arc method. Compared with amorphous carbon overcoats with conventional silicon underlayers, the overcoats with Si-N underlayers obtained by plasma nitriding especially at the substrate bias of -150 V, can provide better corrosion protection for high-density magnetic recording sliders.
Liang, Le; Li, Jiang; Li, Qian; Huang, Qing; Shi, Jiye; Yan, Hao; Fan, Chunhai
2014-07-21
DNA is typically impermeable to the plasma membrane due to its polyanionic nature. Interestingly, several different DNA nanostructures can be readily taken up by cells in the absence of transfection agents, which suggests new opportunities for constructing intelligent cargo delivery systems from these biocompatible, nonviral DNA nanocarriers. However, the underlying mechanism of entry of the DNA nanostructures into the cells remains unknown. Herein, we investigated the endocytotic internalization and subsequent transport of tetrahedral DNA nanostructures (TDNs) by mammalian cells through single-particle tracking. We found that the TDNs were rapidly internalized by a caveolin-dependent pathway. After endocytosis, the TDNs were transported to the lysosomes in a highly ordered, microtubule-dependent manner. Although the TDNs retained their structural integrity within cells over long time periods, their localization in the lysosomes precludes their use as effective delivery agents. To modulate the cellular fate of the TDNs, we functionalized them with nuclear localization signals that directed their escape from the lysosomes and entry into the cellular nuclei. This study improves our understanding of the entry into cells and transport pathways of DNA nanostructures, and the results can be used as a basis for designing DNA-nanostructure-based drug delivery nanocarriers for targeted therapy.
Panwar, O.S., E-mail: ospanwar@mail.nplindia.ernet.in [Plasma Processed Materials Group, National Physical Laboratory (CSIR), Dr. K.S. Krishnan Road, New Delhi 110012 (India); Khan, Mohd Alim [Plasma Processed Materials Group, National Physical Laboratory (CSIR), Dr. K.S. Krishnan Road, New Delhi 110012 (India); Satyanarayana, B.S. [40, Sreeniketan, NDSE 24, New Delhi 110096 (India); Kumar, Sushil; Ishpal [Plasma Processed Materials Group, National Physical Laboratory (CSIR), Dr. K.S. Krishnan Road, New Delhi 110012 (India)
2010-04-15
This paper reports the electrical, mechanical, structural and field emission properties of as grown and also boron and phosphorous incorporated tetrahedral amorphous carbon (ta-C) films, deposited using a filtered cathodic vacuum arc process. The effect of varying boron and phosphorous content (up to 2.0 at.% in to ta-C) on the conductivity ({sigma}{sub D}), activation energy ({Delta}E{sub 1}), hardness, microstructure, emission threshold (E{sub turn-ON}) and emission current density (J) at 12.5 V/{mu}m of ta-C: B and ta-C: P films deposited at a high negative substrate bias of -300 V are reported. It is observed that both boron and phosphorous incorporation leads to a nearly an order increase in {sigma}{sub D} and corresponding decrease in {Delta}E{sub 1} and a slight increase in hardness as compared to as grown ta-C films. In the case of field assisted electron emission, it is observed that E{sub turn-ON} increases and J decreases. The changes are attributed to the changes in the sp{sup 3}/sp{sup 2} ratio of the films due to boron and phosphorous incorporation. The effect of boron on ta-C is to give a p-type effect whereas the effect of phosphorous gives n-type doping effect.
Nikitin, A V; Rey, M; Tyuterev, Vl G
2015-03-07
A simultaneous use of the full molecular symmetry and of an exact kinetic energy operator (KEO) is of key importance for accurate predictions of vibrational levels at a high energy range from a potential energy surface (PES). An efficient method that permits a fast convergence of variational calculations would allow iterative optimization of the PES parameters using experimental data. In this work, we propose such a method applied to tetrahedral AB4 molecules for which a use of high symmetry is crucial for vibrational calculations. A symmetry-adapted contracted angular basis set for six redundant angles is introduced. Simple formulas using this basis set for explicit calculation of the angular matrix elements of KEO and PES are reported. The symmetric form (six redundant angles) of vibrational KEO without the sin(q)(-2) type singularity is derived. The efficient recursive algorithm based on the tensorial formalism is used for the calculation of vibrational matrix elements. A good basis set convergence for the calculations of vibrational levels of the CH4 molecule is demonstrated.
Wang, Z J
2012-12-06
The overriding objective for this project is to develop an efficient and accurate method for capturing strong discontinuities and fine smooth flow structures of disparate length scales with unstructured grids, and demonstrate its potentials for problems relevant to DOE. More specifically, we plan to achieve the following objectives: 1. Extend the SV method to three dimensions, and develop a fourth-order accurate SV scheme for tetrahedral grids. Optimize the SV partition by minimizing a form of the Lebesgue constant. Verify the order of accuracy using the scalar conservation laws with an analytical solution; 2. Extend the SV method to Navier-Stokes equations for the simulation of viscous flow problems. Two promising approaches to compute the viscous fluxes will be tested and analyzed; 3. Parallelize the 3D viscous SV flow solver using domain decomposition and message passing. Optimize the cache performance of the flow solver by designing data structures minimizing data access times; 4. Demonstrate the SV method with a wide range of flow problems including both discontinuities and complex smooth structures. The objectives remain the same as those outlines in the original proposal. We anticipate no technical obstacles in meeting these objectives.
Wu, Z. [Laboratoire Pierre Sue, CEA-CNRS CE Saclay, Gif-sur Yvette (France)]|[INFN, Laboratori Nazionali di Frascati, Rome (Italy); Romano, C. [Rome, Univ. `Roma Tre` (Italy). Dip di Scienze Geologiche]|[Univ. Bayreuth (Germany). Bayerishes Geoinstitut; Marcelli, A.; Cibin, G. [INFN, Laboratori Nazionali di Frascati, Rome (Italy); Mottana, A.; Della Ventura, G. [Rome, Univ. `Roma Tre` (Italy). Dip di Scienze Geologiche]|[INFN, Laboratori Nazionali di Frascati, Rome (Italy); Giuli, G. [Florence Univ. (Italy). Dip. Scienze Mineralogiche; Courtial, P.; Dinwell, D.B. [Univ. Bayreuth (Germany). Bayerishes Geoinstitut
1998-11-01
The structure of aluminosilicate melts/glasses plays a key role in Earth Sciences for the understanding of rock-forming igneous processes, as well as in the Materials Sciences for their technical applications. In particular, the alkaline earth aluminosilicate glasses are an extremely important group of materials, with a wide range of commercial application, as well as serving as analogue for natural basaltic melts. However, definition of their structure and properties is still controversial, and in particular the role and effect of Al has long been a subject of debate. The paper reports a series of experimental x-ray absorption near-edge structure (XANES) spectra at the Al K edge on a series of synthetic glasses of peralkaline composition in the CaO-Al{sub 2}O{sub 3}-SiO{sub 2} system, together with a general theoretical framework for data analysis based on an ab initio full multiple scattering (MS) theory. It`s proposed an Al/Si tetrahedral network model for aluminosilicate glasses based on distorted polyhedra, with varying both the T-O (T=Al or Si) bond lengths and the T-O-T angles, and with different Al/Si composition. This model achieves a significant agreement between experiments and simulations. in these glasses, experimental data and theoretical results concur to support a model in which Al is network-former with a comparatively well ordered local medium-range order (up to 5 A).
Optical Study of Filled Tetrahedral Compounds Li3AlN2 and Li3GaN2
Dadsetani, M.; Namjoo, S.; Nejati, H.
2010-08-01
A detailed analysis of the optical properties of filled tetrahedral semiconductors Li3AlN2 and Li3GaN2 has been performed, using the full potential linearized augmented plane wave method within the density functional theory. The real and imaginary parts of the dielectric function ɛ( ω), the optical absorption coefficient I( ω), the reflectivity R( ω), and the electron energy loss function are calculated within the random phase approximation. The interband transitions responsible for the structures in the spectra are specified. Looking at optical matrix element, we note that the major peaks are dominated by transition from metal s, N 2 p states to N 2 p, Ga 3 d states. The theoretical calculated optical properties and electron energy loss spectrum yield a static dielectric constant of 5.34 and a plasmon energy of 19.47 eV for Li3GaN2. In the Li3AlN2 compound, the static dielectric constant decreases to 4.75 and yields a plasmon energy of 18.5 eV. The effect of spin-orbit coupling on the optical properties is also investigated and found to be quite small, especially in the low-energy region. In order to check the reliability of our calculations, analogous results obtained for Be3N2 in the same structure [space group Ia3(206)] are included in this work.
Xu, Zhijun; Schneeloch, J. A.; Wen, Jinsheng; Božin, E. S.; Granroth, G. E.; Winn, B. L.; Feygenson, M.; Birgeneau, R. J.; Gu, Genda; Zaliznyak, I. A.; Tranquada, J. M.; Xu, Guangyong
2016-03-01
It has recently been demonstrated that dynamical magnetic correlations measured by neutron scattering in iron chalcogenides can be described with models of short-range correlations characterized by particular choices of four-spin plaquettes, where the appropriate choice changes as the parent material is doped towards superconductivity. Here we apply such models to describe measured maps of magnetic scattering as a function of two-dimensional wave vectors obtained for optimally superconducting crystals of FeTe1 -xSex . We show that the characteristic antiferromagnetic wave vector evolves from that of the bicollinear structure found in underdoped chalcogenides (at high temperature) to that associated with the stripe structure of antiferromagnetic iron arsenides (at low temperature); these can both be described with the same local plaquette, but with different interplaquette correlations. While the magnitude of the low-energy magnetic spectral weight is substantial at all temperatures, it actually weakens somewhat at low temperature, where the charge carriers become more itinerant. The observed change in spin correlations is correlated with the dramatic drop in the electronic scattering rate and the growth of the bulk nematic response upon cooling. Finally, we also present powder neutron diffraction results for lattice parameters in FeTe1 -xSex indicating that the tetrahedral bond angle tends to increase towards the ideal value upon cooling, in agreement with the increased screening of the crystal field by more itinerant electrons and the correspondingly smaller splitting of the Fe 3 d orbitals.
Wei, Tongye; Zhang, Qi; Wei, Xiaolin; Gao, Yong; Li, Huaming
2016-03-03
In this work, we present a facile and low-cost approach to synthesize heteroatom doped porous carbon via hydrothermal treatment of stem bark of broussonetia papyrifera (BP) as the biomass precursor in diluted sulfuric acid, and following thermal activation by KOH at 800 °C. The morphology, structure and textural property of the prepared porous carbon (PC) are investigated by scanning electron microscopy, transmission electron microscopy, N2 sorption isotherms, and X-ray photoelectron spectroscopy. The porous carbon possesses a high BET surface area of 1759 m(2) g(-1) and an average pore size of 3.11 nm as well as hetero-oxygen (9.09%) and nitrogen (1.7%) doping. Such porous carbon shows outstanding capacitive performances of 416 F g(-1) and 300 F g(-1) in three and two-electrode systems, respectively. As a solid-state adsorbent, the obtained porous carbon has an excellent CO2 adsorption capacity at ambient pressures of up to 6.71 and 4.45 mmol g(-1) at 0 and 25 °C, respectively. The results present one novel precursor-synthesis route for facile large-scale production of high performance porous carbon for a variety of great applications including energy storage and CO2 capture.
Mariam Olayemi Abdulazeez
2016-12-01
Full Text Available Abdulazeez, M.O., Oyabamiji, A.K. and Semire, B. 2016. DFT and QSAR study of corrosion inhibition on 3,5-di-substituted pyrazole derivatives with heteroatom on position one. Lebanese Science Journal, 17(2: 217-232. A class of organic corrosion inhibitors namely; 2,5-bis(4-dimethylaminophenyl-1,3,4-thiadiazole (DAPT, 2,5-bis(4-dimethylaminophenyl-1,3,4-oxadiazole (DAPO, 3,5-diphenyl-4H-1,2,4-triazole (DHT, 3,5-di(4-pyridyl-4H-1,2,4-triazole (PHT, 2,5-bis(4-aminophenyl-1,3,4-oxadiazole (PAOX, 3,5-di(4-methylthiophenyl-4H-1,2,4-triazole (4-MTHT were investigated at density functional theory (DFT B3LYP/6-31G** (d,p level. The calculated molecular descriptors such as the HOMO, LUMO, the dipole moment, chemical potential (μ, chemical hardness (ղ, softness (s, global nucleophilicity (N and average Mulliken charges on nitrogen atoms are discussed in relation to the observed inhibitory efficiency for the compounds. The developed qualitative structural activity relationship (QSAR models relate the calculated molecular descriptors to the corrosion efficiency; thus QSAR model predicted the experimental corrosion efficiencies. The possible sites for nucleophilic and electrophilic attacks on the compounds were analyzed through the Fukui functions.
Alauddin, Mohammad; Gloaguen, Eric; Brenner, Valérie; Tardivel, Benjamin; Mons, Michel; Zehnacker-Rentien, Anne; Declerck, Valérie; Aitken, David J
2015-11-09
This work describes the use of conformer-selective laser spectroscopy following supersonic expansion to probe the local folding proclivities of four-membered ring cyclic β-amino acid building blocks. Emphasis is placed on stereochemical effects as well as on the structural changes induced by the replacement of a carbon atom of the cycle by a nitrogen atom. The amide A IR spectra are obtained and interpreted with the help of quantum chemistry structure calculations. Results provide evidence that the building block with a trans-substituted cyclobutane ring has a predilection to form strong C8 hydrogen bonds. Nitrogen-atom substitution in the ring induces the formation of the hydrazino turn, with a related but distinct hydrogen-bonding network: the structure is best viewed as a bifurcated C8/C5 bond with the N heteroatom lone electron pair playing a significant acceptor role, which supports recent observations on the hydrazino turn structure in solution. Surprisingly, this study shows that the cis-substituted cyclobutane ring derivative also gives rise predominantly to a C8 hydrogen bond, although weaker than in the two former cases, a feature that is not often encountered for this building block.
Madhu, Rajesh; Veeramani, Vediyappan; Chen, Shen-Ming
2014-04-23
For the first time, high-surface-area (approximately 1465 m(2) g(-1)), highly porous and heteroatom-enriched activated carbon (HAC) was prepared from banana stems (Musa paradisiaca, Family: Musaceae) at different carbonization temperatures of 700, 800 and 900 °C (HAC) using a simple and eco-friendly method. The amounts of carbon, hydrogen, nitrogen and sulfur in the HAC are 61.12, 2.567, 0.4315, and 0.349%, respectively. Using X-ray diffraction (XRD), CHNS elemental analysis, X-ray photoelectron spectroscopy (XPS) and Raman spectroscopy, the prepared activated carbon appears amorphous and disordered in nature. Here, we used HAC for an electrochemical application of nitrite (NO2(-)) sensor to control the environmental pollution. In addition, HAC exhibits noteworthy performance for the highly sensitive determination of nitrite. The limit of detection (LODs) of the nitrite sensor at HAC-modified GCE is 0.07 μM. In addition, the proposed method was applied to determine nitrite in various water samples with acceptable results.
Postactivation Potentiation Biases Maximal Isometric Strength Assessment
Leonardo Coelho Rabello Lima
2014-01-01
Full Text Available Postactivation potentiation (PAP is known to enhance force production. Maximal isometric strength assessment protocols usually consist of two or more maximal voluntary isometric contractions (MVCs. The objective of this study was to determine if PAP would influence isometric strength assessment. Healthy male volunteers (n=23 performed two five-second MVCs separated by a 180-seconds interval. Changes in isometric peak torque (IPT, time to achieve it (tPTI, contractile impulse (CI, root mean square of the electromyographic signal during PTI (RMS, and rate of torque development (RTD, in different intervals, were measured. Significant increases in IPT (240.6 ± 55.7 N·m versus 248.9 ± 55.1 N·m, RTD (746 ± 152 N·m·s−1versus 727 ± 158 N·m·s−1, and RMS (59.1 ± 12.2% RMSMAX versus 54.8 ± 9.4% RMSMAX were found on the second MVC. tPTI decreased significantly on the second MVC (2373 ± 1200 ms versus 2784 ± 1226 ms. We conclude that a first MVC leads to PAP that elicits significant enhancements in strength-related variables of a second MVC performed 180 seconds later. If disconsidered, this phenomenon might bias maximal isometric strength assessment, overestimating some of these variables.
Maximizing versus satisficing: happiness is a matter of choice.
Schwartz, Barry; Ward, Andrew; Monterosso, John; Lyubomirsky, Sonja; White, Katherine; Lehman, Darrin R
2002-11-01
Can people feel worse off as the options they face increase? The present studies suggest that some people--maximizers--can. Study 1 reported a Maximization Scale, which measures individual differences in desire to maximize. Seven samples revealed negative correlations between maximization and happiness, optimism, self-esteem, and life satisfaction, and positive correlations between maximization and depression, perfectionism, and regret. Study 2 found maximizers less satisfied than nonmaximizers (satisficers) with consumer decisions, and more likely to engage in social comparison. Study 3 found maximizers more adversely affected by upward social comparison. Study 4 found maximizers more sensitive to regret and less satisfied in an ultimatum bargaining game. The interaction between maximizing and choice is discussed in terms of regret, adaptation, and self-blame.
Cycle-maximal triangle-free graphs
Durocher, Stephane; Gunderson, David S.; Li, Pak Ching
2015-01-01
Abstract We conjecture that the balanced complete bipartite graph K ⌊ n / 2 ⌋ , ⌈ n / 2 ⌉ contains more cycles than any other n -vertex triangle-free graph, and we make some progress toward proving this. We give equivalent conditions for cycle-maximal triangle-free graphs; show bounds...... on the numbers of cycles in graphs depending on numbers of vertices and edges, girth, and homomorphisms to small fixed graphs; and use the bounds to show that among regular graphs, the conjecture holds. We also consider graphs that are close to being regular, with the minimum and maximum degrees differing...
ON THE SPACES OF THE MAXIMAL POINTS
梁基华; 刘应明
2003-01-01
For a continuous domain D, some characterization that the convex powerdomain CD is adomain hull of Max(CD) is given in terms of compact subsets of D. And in this case, it isproved that the set of the maximal points Max(CD) of CD with the relative Scott topology ishomeomorphic to the set of all Scott compact subsets of Max(D) with the topology induced bythe Hausdorff metric derived from a metric on Max(D) when Max(D) is metrizable.
Understanding of English Contracts though Relation Maxims
XU Chi-ying; JIANG Li-hui
2013-01-01
Contract is the legal evidence of the concerning parties of business. And this lead to its unique characteristics:technical terms, archaism, borrowed words, juxtaposition, and abbreviation. The understanding of contracts is of vital importance for each party, because it concerns the share of interests. In order to avoid ambiguity that some words or sentence in English contracts may lead to, and achieve“best relevance and least effort”of communication, this paper, by applying relation maxim, deeply analyze how to understand English contracts though selection of words, modification, the complexity and simplicity of sentence.
Maximizing results in reconstruction of cheek defects.
Mureau, Marc A M; Hofer, Stefan O P
2009-07-01
The face is exceedingly important, as it is the medium through which individuals interact with the rest of society. Reconstruction of cheek defects after trauma or surgery is a continuing challenge for surgeons who wish to reliably restore facial function and appearance. Important in aesthetic facial reconstruction are the aesthetic unit principles, by which the face can be divided in central facial units (nose, lips, eyelids) and peripheral facial units (cheeks, forehead, chin). This article summarizes established options for reconstruction of cheek defects and provides an overview of several modifications as well as tips and tricks to avoid complications and maximize aesthetic results.
Maximizing policy learning in international committees
Nedergaard, Peter
2007-01-01
, this article demonstrates that valuable lessons can be learned about policy learning, in practice and theoretically, by analysing the cooperation in the OMC committees. Using the Advocacy Coalition Framework as the starting point of analysis, 15 hypotheses on policy learning are tested. Among other things......, it is concluded that in order to maximize policy learning in international committees, empirical data should be made available to committees and provided by sources close to the participants (i.e. the Commission). In addition, the work in the committees should be made prestigious in order to attract well...
Dzwigaj, S; Che, M
2006-06-29
A CoSiBEA zeolite is prepared by a two-step postsynthesis method that consists of first creating vacant T-sites with associated silanol groups by dealumination of TEABEA zeolite with nitric acid and then impregnating the resulting SiBEA zeolite with an aqueous solution of Co(NO3)2. The incorporation of Co into lattice sites of SiBEA is evidenced by XRD. The consumption of OH groups is monitored by FTIR. The presence of Co in its II oxidation state and in tetrahedral coordination is evidenced by diffuse reflectance UV-vis and EPR spectroscopy. The very high reduction temperature (1120 K) of cobalt in CoSiBEA zeolite determined by TPR confirms that Co interacts strongly with the zeolite support, consistent with lattice tetrahedral (T(d)) coordination.
Bianconi, A.; Fritsch, E.; Calas, G.; Petiau, J.
1985-09-15
The x-ray-absorption near-edge structure (XANES) of transition elements in tetrahedral coordination in crystals and glasses has been studied. We have identified the XANES features in the continuum that can be assigned to multiple scattering within the first coordination shell. The energy positions E/sub r/ of the XANES peaks in the continuum follow the rule (E/sub r/-E/sub b/)d/sup 2/ = const, where E/sub b/ is the energy of the prepeak, defined as the first core excitation to the bound antibonding state of T/sub 2/ symmetry, and d is the interatomic distance. This plot allows us to determine the tetrahedral coordination of a vanadium impurity in a SiO/sub 2/ glass and to get an estimation of the vanadium-oxygen distance (1.77 +- 0.05 A).
Bianconi, A.; Fritsch, E.; Calas, G.; Petiau, J.
1985-09-01
The x-ray-absorption near-edge structure (XANES) of transition elements in tetrahedral coordination in crystals and glasses has been studied. We have identified the XANES features in the continuum that can be assigned to multiple scattering within the first coordination shell. The energy positions Er of the XANES peaks in the continuum follow the rule (Er-Eb)d2= const, where Eb is the energy of the prepeak, defined as the first core excitation to the bound antibonding state of T2 symmetry, and d is the interatomic distance. This plot allows us to determine the tetrahedral coordination of a vanadium impurity in a SiO2 glass and to get an estimation of the vanadium-oxygen distance (1.77+/-0.05 Å).
LI,Wen-Zhi(李文智); WANG,Xia(王霞); ZHANG,Wei-Qiang(张伟强); CHEN Li-Ren(陈立仁); LI,Yong-Min(李永民); MA,Chun-Lin(马春林); YIN,Yuan-Qi(殷元骐)
2004-01-01
Amylose tris(3,5-dimethylphenylcarbamate) (ADMPC) coated on a kind of small particle silica gel was prepared. On this ADMPC chiral stationary phase (CSP), the direct enantiomeric separation of six novel chiral transition metal tetrahedral clusters has firstly been achieved using n-hexane as the mobile phase containing various alcohols as modifiers. The effect of mobile phase modifiers and the structural variation of the solutes on their retention factors (k′) and resolutions (Rs) were investigated. The result suggests that not only the structure and concentration of alcohol in mobile phase, but also the structural differences in racemates can have a pronounced effect on enantiomeric separation. ADMPC-CSP is a suitable CSP for the optical resolution of chiral tetrahedral cluster by HPLC.
Maximal subbundles, quot schemes, and curve counting
Gillam, W D
2011-01-01
Let $E$ be a rank 2, degree $d$ vector bundle over a genus $g$ curve $C$. The loci of stable pairs on $E$ in class $2[C]$ fixed by the scaling action are expressed as products of $\\Quot$ schemes. Using virtual localization, the stable pairs invariants of $E$ are related to the virtual intersection theory of $\\Quot E$. The latter theory is extensively discussed for an $E$ of arbitrary rank; the tautological ring of $\\Quot E$ is defined and is computed on the locus parameterizing rank one subsheaves. In case $E$ has rank 2, $d$ and $g$ have opposite parity, and $E$ is sufficiently generic, it is known that $E$ has exactly $2^g$ line subbundles of maximal degree. Doubling the zero section along such a subbundle gives a curve in the total space of $E$ in class $2[C]$. We relate this count of maximal subbundles with stable pairs/Donaldson-Thomas theory on the total space of $E$. This endows the residue invariants of $E$ with enumerative significance: they actually \\emph{count} curves in $E$.
Maximal coherence in a generic basis
Yao, Yao; Dong, G. H.; Ge, Li; Li, Mo; Sun, C. P.
2016-12-01
Since quantum coherence is an undoubted characteristic trait of quantum physics, the quantification and application of quantum coherence has been one of the long-standing central topics in quantum information science. Within the framework of a resource theory of quantum coherence proposed recently, a fiducial basis should be preselected for characterizing the quantum coherence in specific circumstances, namely, the quantum coherence is a basis-dependent quantity. Therefore, a natural question is raised: what are the maximum and minimum coherences contained in a certain quantum state with respect to a generic basis? While the minimum case is trivial, it is not so intuitive to verify in which basis the quantum coherence is maximal. Based on the coherence measure of relative entropy, we indicate the particular basis in which the quantum coherence is maximal for a given state, where the Fourier matrix (or more generally, complex Hadamard matrices) plays a critical role in determining the basis. Intriguingly, though we can prove that the basis associated with the Fourier matrix is a stationary point for optimizing the l1 norm of coherence, numerical simulation shows that it is not a global optimal choice.
Symmetry and approximability of submodular maximization problems
Vondrak, Jan
2011-01-01
A number of recent results on optimization problems involving submodular functions have made use of the multilinear relaxation of the problem. These results hold typically in the value oracle model, where the objective function is accessible via a black box returning f(S) for a given S. We present a general approach to deriving inapproximability results in the value oracle model, based on the notion of symmetry gap. Our main result is that for any fixed instance that exhibits a certain symmetry gap in its multilinear relaxation, there is a naturally related class of instances for which a better approximation factor than the symmetry gap would require exponentially many oracle queries. This unifies several known hardness results for submodular maximization, and implies several new ones. In particular, we prove that there is no constant-factor approximation for the problem of maximizing a non-negative submodular function over the bases of a matroid. We also provide a closely matching approximation algorithm for...
Stühler, Sven; Fleissner, Florian; Eberhard, Peter
2016-11-01
We present an extended particle model for the discrete element method that on the one hand is tetrahedral in shape and on the other hand is capable to describe deformations. The deformations of the tetrahedral particles require a framework to interrelate the particle strains and resulting stresses. Hence, adaptations from the finite element method were used. This allows to link the two methods and to adequately describe material and simulation parameters separately in each scope. Due to the complexity arising of the non-spherical tetrahedral geometry, all possible contact combinations of vertices, edges, and surfaces must be considered by the used contact detection algorithm. The deformations of the particles make the contact evaluation even more challenging. Therefore, a robust contact detection algorithm based on an optimization approach that exploits temporal coherence is presented. This algorithm is suitable for general {R}^{{n}} simplices. An evaluation of the robustness of this algorithm is performed using a numerical example. In order to create complex geometries, bonds between these deformable particles are introduced. This coupling via the tetrahedra faces allows the simulation bonding of deformable bodies composed of several particles. Numerical examples are presented and validated with results that are obtained by the same simulation setup modeled with the finite element method. The intention of using these bonds is to be able to model fracture and material failure. Therefore, the bonds between the particles are not lasting and feature a release mechanism based on a predefined criterion.
Pelties, Christian
2012-02-18
Accurate and efficient numerical methods to simulate dynamic earthquake rupture and wave propagation in complex media and complex fault geometries are needed to address fundamental questions in earthquake dynamics, to integrate seismic and geodetic data into emerging approaches for dynamic source inversion, and to generate realistic physics-based earthquake scenarios for hazard assessment. Modeling of spontaneous earthquake rupture and seismic wave propagation by a high-order discontinuous Galerkin (DG) method combined with an arbitrarily high-order derivatives (ADER) time integration method was introduced in two dimensions by de la Puente et al. (2009). The ADER-DG method enables high accuracy in space and time and discretization by unstructured meshes. Here we extend this method to three-dimensional dynamic rupture problems. The high geometrical flexibility provided by the usage of tetrahedral elements and the lack of spurious mesh reflections in the ADER-DG method allows the refinement of the mesh close to the fault to model the rupture dynamics adequately while concentrating computational resources only where needed. Moreover, ADER-DG does not generate spurious high-frequency perturbations on the fault and hence does not require artificial Kelvin-Voigt damping. We verify our three-dimensional implementation by comparing results of the SCEC TPV3 test problem with two well-established numerical methods, finite differences, and spectral boundary integral. Furthermore, a convergence study is presented to demonstrate the systematic consistency of the method. To illustrate the capabilities of the high-order accurate ADER-DG scheme on unstructured meshes, we simulate an earthquake scenario, inspired by the 1992 Landers earthquake, that includes curved faults, fault branches, and surface topography. Copyright 2012 by the American Geophysical Union.
李一良; 李玉芝; 等
1998-01-01
It is well known that in pyroxene structure,there are two metal sites,M1 and M2.Generally speaking,Ferrous iron in each of these sites would normally be expected to give rise to a doublet,However,anomalies have been found in the relative areas of the peaks in the room temperature spectra of some clinopyroxene(CPX)when the above assignment is followed.According to the calculation of Next Nearest Neighbor configurations of divalent cations in M1,we found that the four configurations of M1 can be divided into two groups.One group is 3Ca configuration that increases with the content of Ca(p.f.u);the other group is made up of three No-3Ca configurations that decrease with the content of Ca.The two groups contribute to the spectrum structure of M1.so in this study we fit two doublets for ferrous iron in M1.Though there were several reports on Fe3+ in tetrahedral site previously,it was not sure that Fe3+ occupies the T site is a universal fact in CPX,despite of the content of Al.We found that the Fe3+ in the T site fitted by Moessbauer spectroscopy is negatively correlated to the Si content in the T site and positively correlated to the Fe3+ in the T site estimated on the supposition that Fe3+ and Al occupy the T site randomly.If it is true.it is important in the modeling of ion exchange geobarometries and geothermomeries.
Panwar, O.S. [Plasma Processed Materials Group, National Physical Laboratory, Dr. K.S. Krishnan Road, New Delhi-110 012 (India)], E-mail: ospanwar@mail.nplindia.ernet.in; Khan, Mohd. Alim [Plasma Processed Materials Group, National Physical Laboratory, Dr. K.S. Krishnan Road, New Delhi-110 012 (India); Kumar, Mahesh; Shivaprasad, S.M. [Surface Physics and Nanostructures Group, National Physical Laboratory, Dr. K.S. Krishnan Road, New Delhi-110 012 (India); Satyanarayana, B.S. [MIT Innovation Centre and Electronics and Communication Department, Manipal Institute of Technology, Manipal-579104 (India); Dixit, P.N. [Plasma Processed Materials Group, National Physical Laboratory, Dr. K.S. Krishnan Road, New Delhi-110 012 (India); Bhattacharyya, R. [Emeritus Scientist, National Physical Laboratory, New Delhi-110012 (India); Khan, M.Y. [Department of Physics, Jamia Millia Islamia, Central University, New Delhi-110025 (India)
2008-02-29
The application of a sufficiently high negative substrate bias, during the growth of tetrahedral amorphous carbon (ta-C), is usually associated with low sp{sup 3} bonding configuration and stressed films. However, in an effort to understand and utilize the higher pseudo thermo dynamical conditions during the film growth, at high negative substrate bias (- 300 V), reported here is a study on ta-C films grown under different hydrogen and nitrogen concentration. As grown ta-C films were studied under different negative substrate bias conditions. The variation of the sp{sup 3} content and sp{sup 3}/sp{sup 2} ratio in the ta-C films exhibits a trend similar to those reported in literature, with a subtle variation in this report being the substrate bias voltage, which was observed to be around - 200 V, for obtaining the highest sp{sup 3} (80%) bonding and sp{sup 3}/sp{sup 2} (3.95) ratio. The hydrogen and nitrogen incorporated ta-C films studied, at a bias of - 300 V, show an increase in sp{sup 3} (87-91%) bonding and sp{sup 3}/sp{sup 2} (7-10) ratio in the range of studies reported. The inference is drawn on the basis of the set of data obtained from measurements carried out using X-ray photoelectron spectroscopy, X-ray induced Auger electron spectroscopy and Raman spectroscopy of as grown and hydrogen and nitrogen incorporated ta-C films deposited using an S bend filtered cathodic vacuum arc system. The study indicates the possibility of further tailoring ta-C film properties and also extending capabilities of the cathodic arc system for developing carbon based films for electronics and tribological applications.
Usui, Yoshiya; Ogawa, Yasuo; Aizawa, Koki; Kanda, Wataru; Hashimoto, Takeshi; Koyama, Takao; Yamaya, Yusuke; Kagiyama, Tsuneomi
2017-03-01
Asama Volcano is an andesitic composite volcano and one of the most active volcanoes in Japan. In order to reveal electrical resistivity structure beneath the volcano accurately, we performed a 3-D inversion of dense magnetotelluric survey data. In order to prevent misinterpretation of the subsurface resistivity due to the steep topography around Asama Volcano, we used an unstructured tetrahedral mesh to represent the topography. Furthermore, we reduced the calculation time by transforming the inverse problem from the model space into the data space. Comparison of the new data-space method to the original model-space method showed that the calculation time required to update the model parameters was reduced as a result of the transformation, whereas the resistivity structure obtained remained unchanged. In the subsurface resistivity structure around Asama Volcano that was estimated from the inversion, resistive bodies were discovered to be located under the old eruption centres. In particular, under the 24 ka collapse caldera to the west of the presently active crater, a spherical resistive body was found to exist in isolation. In addition, there was a widespread conductive layer below the resistive surface layer. By comparison with previous hydrological and geochemical studies, the conductive layer was interpreted as being a high-water-content layer and an overlying layer rich in altered clay minerals. Because the western part of the volcanic conduit was considered to be the resistive area, which is inferred to consist of unfractured rocks with lower permeability than their surroundings, it would appear that the area obstructs the westward flow of the hydrothermal fluid beneath the summit, thereby contributing to higher concentrations of SO42- and Cl- in the spring water at the northern and eastern feet as well as the uneven location of a diffuse CO2 anomaly.
Gavette, Jesse V; Klug, Christina M; Zakharov, Lev N; Shores, Matthew P; Haley, Michael M; Johnson, Darren W
2014-07-11
A bipyridyl-based anion receptor is utilized as a ligand in a tetrahedral FeCl2 complex and demonstrates secondary coordination sphere influence through intramolecular hydrogen bonding to the chloride ligands as evidenced by X-ray crystallography.
Maximal lattice free bodies, test sets and the Frobenius problem
Jensen, Anders Nedergaard; Lauritzen, Niels; Roune, Bjarke Hammersholt
Maximal lattice free bodies are maximal polytopes without interior integral points. Scarf initiated the study of maximal lattice free bodies relative to the facet normals in a fixed matrix. In this paper we give an efficient algorithm for computing the maximal lattice free bodies of an integral...... method is inspired by the novel algorithm by Einstein, Lichtblau, Strzebonski and Wagon and the Groebner basis approach by Roune....
Maximizing scientific knowledge from randomized clinical trials
Gustafsson, Finn; Atar, Dan; Pitt, Bertram;
2010-01-01
Trialists have an ethical and financial responsibility to plan and conduct clinical trials in a manner that will maximize the scientific knowledge gained from the trial. However, the amount of scientific information generated by randomized clinical trials in cardiovascular medicine is highly...... variable. Generation of trial databases and/or biobanks originating in large randomized clinical trials has successfully increased the knowledge obtained from those trials. At the 10th Cardiovascular Trialist Workshop, possibilities and pitfalls in designing and accessing clinical trial databases were......, in particular with respect to collaboration with the trial sponsor and to analytic pitfalls. The advantages of creating screening databases in conjunction with a given clinical trial are described; and finally, the potential for posttrial database studies to become a platform for training young scientists...
Characterizing maximally singular phase-space distributions
Sperling, J.
2016-07-01
Phase-space distributions are widely applied in quantum optics to access the nonclassical features of radiations fields. In particular, the inability to interpret the Glauber-Sudarshan distribution in terms of a classical probability density is the fundamental benchmark for quantum light. However, this phase-space distribution cannot be directly reconstructed for arbitrary states, because of its singular behavior. In this work, we perform a characterization of the Glauber-Sudarshan representation in terms of distribution theory. We address important features of such distributions: (i) the maximal degree of their singularities is studied, (ii) the ambiguity of representation is shown, and (iii) their dual space for nonclassicality tests is specified. In this view, we reconsider the methods for regularizing the Glauber-Sudarshan distribution for verifying its nonclassicality. This treatment is supported with comprehensive examples and counterexamples.
Maximization of eigenvalues using topology optimization
Pedersen, Niels Leergaard
2000-01-01
Topology optimization is used to optimize the eigenvalues of plates. The results are intended especially for MicroElectroMechanical Systems (MEMS) but call be seen as more general. The problem is not formulated as a case of reinforcement of an existing structure, so there is a problem related...... to localized modes in low density areas. The topology optimization problem is formulated using the SIMP method. Special attention is paid to a numerical method for removing localized eigenmodes in low density areas. The method is applied to numerical examples of maximizing the first eigenfrequency, One example...... is a practical MEMS application; a probe used in an Atomic Force Microscope (AFM). For the AFM probe the optimization is complicated by a constraint on the stiffness and constraints on higher order eigenvalues....
MAXIMIZING THE BENEFITS OF ERP SYSTEMS
Paulo André da Conceição Menezes
2010-04-01
Full Text Available The ERP (Enterprise Resource Planning systems have been consolidated in companies with different sizes and sectors, allowing their real benefits to be definitively evaluated. In this study, several interactions have been studied in different phases, such as the strategic priorities and strategic planning defined as ERP Strategy; business processes review and the ERP selection in the pre-implementation phase, the project management and ERP adaptation in the implementation phase, as well as the ERP revision and integration efforts in the post-implementation phase. Through rigorous use of case study methodology, this research led to developing and to testing a framework for maximizing the benefits of the ERP systems, and seeks to contribute for the generation of ERP initiatives to optimize their performance.
MAXIMIZING THE BENEFITS OF ERP SYSTEMS
Paulo André Da Conceiçao Menezes
2010-04-01
Full Text Available The ERP (Enterprise Resource Planning systems have been consolidated in companies with different sizes and sectors, allowing their real benefits to be definitively evaluated. In this study, several interactions have been studied in different phases, such as the strategic priorities and strategic planning defined as ERP Strategy; business processes review and the ERP selection in the pre-implementation phase, the project management and ERP adaptation in the implementation phase, as well as the ERP revision and integration efforts in the post-implementation phase. Through rigorous use of case study methodology, this research led to developing and to testing a framework for maximizing the benefits of the ERP systems, and seeks to contribute for the generation of ERP initiatives to optimize their performance.
Reflection Quasilattices and the Maximal Quasilattice
Boyle, Latham
2016-01-01
We introduce the concept of a {\\it reflection quasilattice}, the quasiperiodic generalization of a Bravais lattice with irreducible reflection symmetry. Among their applications, reflection quasilattices are the reciprocal (i.e. Bragg diffraction) lattices for quasicrystals and quasicrystal tilings, such as Penrose tilings, with irreducible reflection symmetry and discrete scale invariance. In a follow-up paper, we will show that reflection quasilattices can be used to generate tilings in real space with properties analogous to those in Penrose tilings, but with different symmetries and in various dimensions. Here we prove that reflection quasilattices only exist in dimensions two, three and four, and we prove that there is a unique reflection quasilattice in dimension four: the "maximal reflection quasilattice" in terms of dimensionality and symmetry. We further show that, unlike crystallographic Bravais lattices, all reflection quasilattices are invariant under rescaling by certain discrete scale factors. W...
Distributed Maximality based CTL Model Checking
Djamel Eddine Saidouni
2010-05-01
Full Text Available In this paper we investigate an approach to perform a distributed CTL Model checker algorithm on a network of workstations using Kleen three value logic, the state spaces is partitioned among the network nodes, We represent the incomplete state spaces as a Maximality labeled Transition System MLTS which are able to express true concurrency. we execute in parallel the same algorithm in each node, for a certain property on an incomplete MLTS , this last compute the set of states which satisfy or which if they fail are assigned the value .The third value mean unknown whether true or false because the partial state space lacks sufficient information needed for a precise answer concerning the complete state space .To solve this problem each node exchange the information needed to conclude the result about the complete state space. The experimental version of the algorithm is currently being implemented using the functional programming language Erlang.
Evolution of correlated multiplexity through stability maximization
Dwivedi, Sanjiv K
2016-01-01
Investigating relation between various structural patterns found in real-world networks and stability of underlying systems is crucial to understand importance and evolutionary origin of such patterns. We evolve multiplex networks, comprising of anti-symmetric couplings in one layer, depicting predator-prey relation, and symmetric couplings in the other, depicting mutualistic (or competitive) relation, based on stability maximization through the largest eigenvalue. We find that the correlated multiplexity emerges as evolution progresses. The evolved values of the correlated multiplexity exhibit a dependence on the inter-link coupling strength. Furthermore, the inter-layer coupling strength governs the evolution of disassortativity property in the individual layers. We provide analytical understanding to these findings by considering star like networks in both the layers. The model and tools used here are useful for understanding the principles governing the stability as well as importance of such patterns in ...
Witten spinors on maximal, conformally flat hypersurfaces
Frauendiener, Jörg; Szabados, László B
2011-01-01
The boundary conditions that exclude zeros of the solutions of the Witten equation (and hence guarantee the existence of a 3-frame satisfying the so-called special orthonormal frame gauge conditions) are investigated. We determine the general form of the conformally invariant boundary conditions for the Witten equation, and find the boundary conditions that characterize the constant and the conformally constant spinor fields among the solutions of the Witten equations on compact domains in extrinsically and intrinsically flat, and on maximal, intrinsically globally conformally flat spacelike hypersurfaces, respectively. We also provide a number of exact solutions of the Witten equation with various boundary conditions (both at infinity and on inner or outer boundaries) that single out nowhere vanishing spinor fields on the flat, non-extreme Reissner--Nordstr\\"om and Brill--Lindquist data sets. Our examples show that there is an interplay between the boundary conditions, the global topology of the hypersurface...
Greedy Maximal Scheduling in Wireless Networks
Li, Qiao
2010-01-01
In this paper we consider greedy scheduling algorithms in wireless networks, i.e., the schedules are computed by adding links greedily based on some priority vector. Two special cases are considered: 1) Longest Queue First (LQF) scheduling, where the priorities are computed using queue lengths, and 2) Static Priority (SP) scheduling, where the priorities are pre-assigned. We first propose a closed-form lower bound stability region for LQF scheduling, and discuss the tightness result in some scenarios. We then propose an lower bound stability region for SP scheduling with multiple priority vectors, as well as a heuristic priority assignment algorithm, which is related to the well-known Expectation-Maximization (EM) algorithm. The performance gain of the proposed heuristic algorithm is finally confirmed by simulations.
Dispatch Scheduling to Maximize Exoplanet Detection
Johnson, Samson; McCrady, Nate; MINERVA
2016-01-01
MINERVA is a dedicated exoplanet detection telescope array using radial velocity measurements of nearby stars to detect planets. MINERVA will be a completely robotic facility, with a goal of maximizing the number of exoplanets detected. MINERVA requires a unique application of queue scheduling due to its automated nature and the requirement of high cadence observations. A dispatch scheduling algorithm is employed to create a dynamic and flexible selector of targets to observe, in which stars are chosen by assigning values through a weighting function. I designed and have begun testing a simulation which implements the functions of a dispatch scheduler and records observations based on target selections through the same principles that will be used at the commissioned site. These results will be used in a larger simulation that incorporates weather, planet occurrence statistics, and stellar noise to test the planet detection capabilities of MINERVA. This will be used to heuristically determine an optimal observing strategy for the MINERVA project.
A New Biflavone from Selaginella pulvinata Maxim
XU Kang-Ping; XU Zhi; DENG Yin-Hua; LI Fu-Shuang; ZHOU Ying-Jun; HU Gao-Yun; TAN Gui-Shan
2003-01-01
@@ Selaginella pulvinata Maxim. distributes all over the country of China and is used for the treatment for haemor rhage. [1] We studied on the chemical constituents of S. pulvinata in order to find the active compounds. Dried stems and leaves of S. pulvinata (6.5 kg) were extracted with 70% ethanol twice. The extract was evaporated under vacuum and than suspended in water, extracted with petroleum and EtOAc sequentially. The EtOAc extract was chromatographed on silica gel, eluted with CHCl3-MeOH. As a result, a novel biflavone, named pulvinatabiflavone, was obtained from fractions 75 ～ 78. Its structure was determined on the basis of spectroscopic analysis as 5,5″, 4′″ trihydroxy-7,7″-dimethoxy-[4′-O-6″]-biflavone (compound 1).
Maximal energy extraction under discrete diffusive exchange
Hay, M. J., E-mail: hay@princeton.edu [Department of Astrophysical Sciences, Princeton University, Princeton, New Jersey 08544 (United States); Schiff, J. [Department of Mathematics, Bar-Ilan University, Ramat Gan 52900 (Israel); Fisch, N. J. [Department of Astrophysical Sciences, Princeton University, Princeton, New Jersey 08544 (United States); Princeton Plasma Physics Laboratory, Princeton, New Jersey 08543 (United States)
2015-10-15
Waves propagating through a bounded plasma can rearrange the densities of states in the six-dimensional velocity-configuration phase space. Depending on the rearrangement, the wave energy can either increase or decrease, with the difference taken up by the total plasma energy. In the case where the rearrangement is diffusive, only certain plasma states can be reached. It turns out that the set of reachable states through such diffusive rearrangements has been described in very different contexts. Building upon those descriptions, and making use of the fact that the plasma energy is a linear functional of the state densities, the maximal extractable energy under diffusive rearrangement can then be addressed through linear programming.
Maximal energy extraction under discrete diffusive exchange
Hay, Michael J; Fisch, Nathaniel J
2015-01-01
Waves propagating through a bounded plasma can rearrange the densities of states in the six-dimensional velocity-configuration phase space. Depending on the rearrangement, the wave energy can either increase or decrease, with the difference taken up by the total plasma energy. In the case where the rearrangement is diffusive, only certain plasma states can be reached. It turns out that the set of reachable states through such diffusive rearrangements has been described in very different contexts. Building upon those descriptions, and making use of the fact that the plasma energy is a linear functional of the state densities, the maximal extractable energy under diffusive rearrangement can then be addressed through linear programming.
Maximally reliable Markov chains under energy constraints.
Escola, Sean; Eisele, Michael; Miller, Kenneth; Paninski, Liam
2009-07-01
Signal-to-noise ratios in physical systems can be significantly degraded if the outputs of the systems are highly variable. Biological processes for which highly stereotyped signal generations are necessary features appear to have reduced their signal variabilities by employing multiple processing steps. To better understand why this multistep cascade structure might be desirable, we prove that the reliability of a signal generated by a multistate system with no memory (i.e., a Markov chain) is maximal if and only if the system topology is such that the process steps irreversibly through each state, with transition rates chosen such that an equal fraction of the total signal is generated in each state. Furthermore, our result indicates that by increasing the number of states, it is possible to arbitrarily increase the reliability of the system. In a physical system, however, an energy cost is associated with maintaining irreversible transitions, and this cost increases with the number of such transitions (i.e., the number of states). Thus, an infinite-length chain, which would be perfectly reliable, is infeasible. To model the effects of energy demands on the maximally reliable solution, we numerically optimize the topology under two distinct energy functions that penalize either irreversible transitions or incommunicability between states, respectively. In both cases, the solutions are essentially irreversible linear chains, but with upper bounds on the number of states set by the amount of available energy. We therefore conclude that a physical system for which signal reliability is important should employ a linear architecture, with the number of states (and thus the reliability) determined by the intrinsic energy constraints of the system.
Wyse, Adam E.; Babcock, Ben
2016-01-01
A common suggestion made in the psychometric literature for fixed-length classification tests is that one should design tests so that they have maximum information at the cut score. Designing tests in this way is believed to maximize the classification accuracy and consistency of the assessment. This article uses simulated examples to illustrate…
From entropy-maximization to equality-maximization: Gauss, Laplace, Pareto, and Subbotin
Eliazar, Iddo
2014-12-01
The entropy-maximization paradigm of statistical physics is well known to generate the omnipresent Gauss law. In this paper we establish an analogous socioeconomic model which maximizes social equality, rather than physical disorder, in the context of the distributions of income and wealth in human societies. We show that-on a logarithmic scale-the Laplace law is the socioeconomic equality-maximizing counterpart of the physical entropy-maximizing Gauss law, and that this law manifests an optimized balance between two opposing forces: (i) the rich and powerful, striving to amass ever more wealth, and thus to increase social inequality; and (ii) the masses, struggling to form more egalitarian societies, and thus to increase social equality. Our results lead from log-Gauss statistics to log-Laplace statistics, yield Paretian power-law tails of income and wealth distributions, and show how the emergence of a middle-class depends on the underlying levels of socioeconomic inequality and variability. Also, in the context of asset-prices with Laplace-distributed returns, our results imply that financial markets generate an optimized balance between risk and predictability.
THE EFFECTS MAXIMAL AND SUB MAXIMAL AEROBIC EXERCISE ON THE BRONCHOSPASM INDICES IN NON ATHLETIC
Amir GANJİ
2012-08-01
Full Text Available Background: Exercise-induced bronchospasm (EIB is a transient airway obstruction that occurs during and after the exercise. Exercise-induced bronchospasm is observed in healthy individuals as well as the asthmatic and allergic rhinitis patients. Research question: The study compared the effects of one session of submaximal aerobic exercise and a maximal one on the prevalence of exercise-induced bronchospasm in non-athletic students. Type of study: An experimental study, using human subjects, was designed. Methods: 20 non-athletic male students participated in two sessions of aerobic exercise. The prevalence of EIB was investigated among them. The criteria for assessing exercise-induced bronchospasm were ≥10% fall in FEV1, ≥15% fall in FEF25-75%, or ≥25% fall in PEFR. Results: The results revealed that the maximal exercise did not affect FEF25-75% and PEF, but it led to a meaningful reduction in FEV1. Contrarily, the submaximal exercise affected none of these indices. That is, in both protocols the same result was obtained for PEF and FEF25-75. Moreover, the prevalence of EIB was 15% in the submaximal exercise and 20% in the maximal one. Actually, this difference was significant. Conclusion: This study demonstrated that in contrast to the subjects who performed submaximal exercise, those who participated in the maximal protocol showed more changes in the pulmonary function indices and the prevalence of EIB was greater among them.
Maximal elements of non necessarily acyclic binary relations
Josep Enric Peris Ferrando; Begoña Subiza Martínez
1992-01-01
The existence of maximal elements for binary preference relations is analyzed without imposing transitivity or convexity conditions. From each preference relation a new acyclic relation is defined in such a way that some maximal elements of this new relation characterize maximal elements of the original one. The result covers the case whereby the relation is acyclic.
Krauser, J.; Gehrke, H.-G.; Hofsäss, H.; Amani, J.; Trautmann, C.; Weidinger, A.
2015-12-01
This paper gives an extended overview of the electrical properties of ion tracks in hydrogen-free tetrahedral amorphous carbon (ta-C) with a sp3 bond fraction of about 80%. The films were grown by mass selected ion beam deposition of 100 eV 12C+ ions. The ion tracks are generated by irradiation of ta-C films with uranium ions of 1 GeV kinetic energy. Along the ion path a conversion from diamond-like (sp3) carbon to graphite-like (sp2) carbon takes place. Topography and current measurements of individual ion tracks were performed by atomic force microscopy at ambient temperature. The temperature dependence of the electric conductivity was studied between 15 and 390 K by means of 0.28 mm2 large contact pads averaging over about 107 tracks. For each sample and at each temperature the conductivity as a function of the applied electrical field (non-ohmic behaviour) was measured separately and the data were extrapolated to field zero. In this way, the zero-field conductivity was determined independent from the field dependence. In spite of large differences in the absolute values, the temperature dependence of the zero-field conductivities is found to be very similar in shape for all samples. The conductivities follow a {T}-{1/4} law up to temperatures slightly below room temperature. At higher temperatures a transport mechanism based on over-barrier hopping dominates with an activation energy of about 220 meV for tracks and 260 meV for the ta-C matrix. The field dependence measurements show that the deviation of the I-V characteristics from ohmic behaviour decreases with increasing zero-field conductivity. We also tested Cu-doped ta-C samples and found that they conduct significantly better than pure ta-C. However, the doping also increases the zero-field conductivity resulting in a weaker contrast between the track and matrix. The data are interpreted within the so-called ‘barrier model’ where the electrons are assumed to move fairly freely in well-conducting sp2
Electronic spectrum of non-tetrahedral acceptors in CdTe:Cl and CdTe:Bi,Cl single crystals
Krivobok, V. S., E-mail: krivobok@lebedev.ru [P.N. Lebedev Physical Institute, Russian Academy of Sciences, Moscow (Russian Federation); Moscow Institute of Physics and Technology (State University), Dolgoprudny, Moscow Region (Russian Federation); Nikolaev, S. N.; Bagaev, V. S.; Pruchkina, A. A.; Onishchenko, E. E.; Kolosov, S. A.; Klevkov, Yu. V.; Skorikov, M. L. [P.N. Lebedev Physical Institute, Russian Academy of Sciences, Moscow (Russian Federation)
2016-02-07
The electronic spectra of complex acceptors in compensated CdTe:Cl, CdTe:Ag,Cl, and CdTe:Bi,Cl single crystals are studied using low-temperature photoluminescence (PL) measurements under both nonresonant and resonant excitation of distant donor–acceptor pairs (DAP). The wavelength modulation of the excitation source combined with the analysis of the differential PL signal is used to enhance narrow spectral features obscured because of inhomogeneous line broadening and/or excitation transfer for selectively excited DAPs. For the well-known tetrahedral (T{sub D}) Ag{sub Cd} acceptor, the energies of four excited states are measured, and the values obtained are shown to be in perfect agreement with the previous data. Moreover, splitting between the 2P{sub 3/2} (Γ{sub 8}) and 2S{sub 3/2} (Γ{sub 8}) states is clearly observed for Ag{sub Cd} centers located at a short distance (5–7 nm) from a hydrogen-like donor (Cl{sub Te}). This splitting results from the reduction of the T{sub D} symmetry taking place when the acceptor is a member of a donor–acceptor pair. For the Cl-related complex acceptor with an activation energy of ∼121 meV (A-center), the energies of eight excited states are measured. It is shown that this defect produces low-symmetry central-cell correction responsible for the strong splitting of S-like T{sub D} shells. The energy spectrum of the Bi-related shallow acceptor with an activation energy of ∼36 meV is measured as well. The spectrum obtained differs drastically from the hydrogen-like set of levels, which indicates the existence of repulsive low-symmetry perturbation of the hydrogen-like Coulomb potential. It is also shown that the spectra of selectively excited PL recorded for a macroscopic ensemble of distant donor–acceptor pairs allow one to detect the low symmetry of acceptors of a given type caused by their complex nature or by the Jahn–Teller distortion. This method does not require any additional (external) field and is
Maximization Paradox: Result of Believing in an Objective Best.
Luan, Mo; Li, Hong
2017-05-01
The results from four studies provide reliable evidence of how beliefs in an objective best influence the decision process and subjective feelings. A belief in an objective best serves as the fundamental mechanism connecting the concept of maximizing and the maximization paradox (i.e., expending great effort but feeling bad when making decisions, Study 1), and randomly chosen decision makers operate similar to maximizers once they are manipulated to believe that the best is objective (Studies 2A, 2B, and 3). In addition, the effect of a belief in an objective best on the maximization paradox is moderated by the presence of a dominant option (Study 3). The findings of this research contribute to the maximization literature by demonstrating that believing in an objective best leads to the maximization paradox. The maximization paradox is indeed the result of believing in an objective best.
李双宝; 窦志宇; 何兴权; 崔丽莉; 张誉腾
2013-01-01
Aluminophosphate molecular sieve frameworks AFI, AEL, ATO, SBS, SBE, SBT, JRY and MA-PO-CJ69 were optimized by means of computer simulation methods. The standard deviations of Al—O, O—O, Al—P, and P—P distances in A1O4 and A1P4 tetrahedra, as well as their continuous shape measure ( CShM ) values were calculated. Calculation results show that the introduction of heteroatoms is necessary for the formation of molecular sieve frameworks with high distortions. In addition, Heteroatoms occupy the most distorted tetrahedra sites. On the contrary, zeolite frameworks with low distortions can be synthesized without the addition of heteroatoms. These results agreed well with the experimental results.%采用计算机模拟方法对AFI,AEL,ATO,SBS,SBE,SBT,JRY和MAPO-CJ69等磷酸铝分子筛的骨架进行了几何优化,通过计算这些骨架结构中A1O4和AlP4四面体的A1-O,O-O,Al-P和p-p各键长的标准偏差及AlO4和AlP4四面体的连续形状度量(CShM),得到了这些分子筛骨架中四面体的扭曲度.通过对比发现,具有较大扭曲度的骨架在实验中往往需要引入杂原子以稳定整个结构,且杂原子优先进入骨架中扭曲度大的位置；而扭曲度较小的骨架结构无需引入杂原子就能够合成出来.
EXPLANATORY VARIANCE IN MAXIMAL OXYGEN UPTAKE
Jacalyn J. Robert McComb
2006-06-01
Full Text Available The purpose of this study was to develop a prediction equation that could be used to estimate maximal oxygen uptake (VO2max from a submaximal water running protocol. Thirty-two volunteers (n =19 males, n = 13 females, ages 18 - 24 years, underwent the following testing procedures: (a a 7-site skin fold assessment; (b a land VO2max running treadmill test; and (c a 6 min water running test. For the water running submaximal protocol, the participants were fitted with an Aqua Jogger Classic Uni-Sex Belt and a Polar Heart Rate Monitor; the participants' head, shoulders, hips and feet were vertically aligned, using a modified running/bicycle motion. A regression model was used to predict VO2max. The criterion variable, VO2max, was measured using open-circuit calorimetry utilizing the Bruce Treadmill Protocol. Predictor variables included in the model were percent body fat (% BF, height, weight, gender, and heart rate following a 6 min water running protocol. Percent body fat accounted for 76% (r = -0.87, SEE = 3.27 of the variance in VO2max. No other variables significantly contributed to the explained variance in VO2max. The equation for the estimation of VO2max is as follows: VO2max ml.kg-1·min-1 = 56.14 - 0.92 (% BF.
Reflection quasilattices and the maximal quasilattice
Boyle, Latham; Steinhardt, Paul J.
2016-08-01
We introduce the concept of a reflection quasilattice, the quasiperiodic generalization of a Bravais lattice with irreducible reflection symmetry. Among their applications, reflection quasilattices are the reciprocal (i.e., Bragg diffraction) lattices for quasicrystals and quasicrystal tilings, such as Penrose tilings, with irreducible reflection symmetry and discrete scale invariance. In a follow-up paper, we will show that reflection quasilattices can be used to generate tilings in real space with properties analogous to those in Penrose tilings, but with different symmetries and in various dimensions. Here we explain that reflection quasilattices only exist in dimensions two, three, and four, and we prove that there is a unique reflection quasilattice in dimension four: the "maximal reflection quasilattice" in terms of dimensionality and symmetry. Unlike crystallographic Bravais lattices, all reflection quasilattices are invariant under rescaling by certain discrete scale factors. We tabulate the complete set of scale factors for all reflection quasilattices in dimension d >2 , and for all those with quadratic irrational scale factors in d =2 .
Viral quasispecies assembly via maximal clique enumeration.
Töpfer, Armin; Marschall, Tobias; Bull, Rowena A; Luciani, Fabio; Schönhuth, Alexander; Beerenwinkel, Niko
2014-03-01
Virus populations can display high genetic diversity within individual hosts. The intra-host collection of viral haplotypes, called viral quasispecies, is an important determinant of virulence, pathogenesis, and treatment outcome. We present HaploClique, a computational approach to reconstruct the structure of a viral quasispecies from next-generation sequencing data as obtained from bulk sequencing of mixed virus samples. We develop a statistical model for paired-end reads accounting for mutations, insertions, and deletions. Using an iterative maximal clique enumeration approach, read pairs are assembled into haplotypes of increasing length, eventually enabling global haplotype assembly. The performance of our quasispecies assembly method is assessed on simulated data for varying population characteristics and sequencing technology parameters. Owing to its paired-end handling, HaploClique compares favorably to state-of-the-art haplotype inference methods. It can reconstruct error-free full-length haplotypes from low coverage samples and detect large insertions and deletions at low frequencies. We applied HaploClique to sequencing data derived from a clinical hepatitis C virus population of an infected patient and discovered a novel deletion of length 357±167 bp that was validated by two independent long-read sequencing experiments. HaploClique is available at https://github.com/armintoepfer/haploclique. A summary of this paper appears in the proceedings of the RECOMB 2014 conference, April 2-5.
Network channel allocation and revenue maximization
Hamalainen, Timo; Joutsensalo, Jyrki
2002-09-01
This paper introduces a model that can be used to share link capacity among customers under different kind of traffic conditions. This model is suitable for different kind of networks like the 4G networks (fast wireless access to wired network) to support connections of given duration that requires a certain quality of service. We study different types of network traffic mixed in a same communication link. A single link is considered as a bottleneck and the goal is to find customer traffic profiles that maximizes the revenue of the link. Presented allocation system accepts every calls and there is not absolute blocking, but the offered data rate/user depends on the network load. Data arrival rate depends on the current link utilization, user's payment (selected CoS class) and delay. The arrival rate is (i) increasing with respect to the offered data rate, (ii) decreasing with respect to the price, (iii) decreasing with respect to the network load, and (iv) decreasing with respect to the delay. As an example, explicit formula obeying these conditions is given and analyzed.
Evolution of correlated multiplexity through stability maximization
Dwivedi, Sanjiv K.; Jalan, Sarika
2017-02-01
Investigating the relation between various structural patterns found in real-world networks and the stability of underlying systems is crucial to understand the importance and evolutionary origin of such patterns. We evolve multiplex networks, comprising antisymmetric couplings in one layer depicting predator-prey relationship and symmetric couplings in the other depicting mutualistic (or competitive) relationship, based on stability maximization through the largest eigenvalue of the corresponding adjacency matrices. We find that there is an emergence of the correlated multiplexity between the mirror nodes as the evolution progresses. Importantly, evolved values of the correlated multiplexity exhibit a dependence on the interlayer coupling strength. Additionally, the interlayer coupling strength governs the evolution of the disassortativity property in the individual layers. We provide analytical understanding to these findings by considering starlike networks representing both the layers. The framework discussed here is useful for understanding principles governing the stability as well as the importance of various patterns in the underlying networks of real-world systems ranging from the brain to ecology which consist of multiple types of interaction behavior.
Viral quasispecies assembly via maximal clique enumeration.
Armin Töpfer
2014-03-01
Full Text Available Virus populations can display high genetic diversity within individual hosts. The intra-host collection of viral haplotypes, called viral quasispecies, is an important determinant of virulence, pathogenesis, and treatment outcome. We present HaploClique, a computational approach to reconstruct the structure of a viral quasispecies from next-generation sequencing data as obtained from bulk sequencing of mixed virus samples. We develop a statistical model for paired-end reads accounting for mutations, insertions, and deletions. Using an iterative maximal clique enumeration approach, read pairs are assembled into haplotypes of increasing length, eventually enabling global haplotype assembly. The performance of our quasispecies assembly method is assessed on simulated data for varying population characteristics and sequencing technology parameters. Owing to its paired-end handling, HaploClique compares favorably to state-of-the-art haplotype inference methods. It can reconstruct error-free full-length haplotypes from low coverage samples and detect large insertions and deletions at low frequencies. We applied HaploClique to sequencing data derived from a clinical hepatitis C virus population of an infected patient and discovered a novel deletion of length 357±167 bp that was validated by two independent long-read sequencing experiments. HaploClique is available at https://github.com/armintoepfer/haploclique. A summary of this paper appears in the proceedings of the RECOMB 2014 conference, April 2-5.
Maximal respiratory pressure in healthy Japanese children
Tagami, Miki; Okuno, Yukako; Matsuda, Tadamitsu; Kawamura, Kenta; Shoji, Ryosuke; Tomita, Kazuhide
2017-01-01
[Purpose] Normal values for respiratory muscle pressures during development in Japanese children have not been reported. The purpose of this study was to investigate respiratory muscle pressures in Japanese children aged 3–12 years. [Subjects and Methods] We measured respiratory muscle pressure values using a manovacuometer without a nose clip, with subjects in a sitting position. Data were collected for ages 3–6 (Group I: 68 subjects), 7–9 (Group II: 86 subjects), and 10–12 (Group III: 64 subjects) years. [Results] The values for respiratory muscle pressures in children were significantly higher with age in both sexes, and were higher in boys than in girls. Correlation coefficients were significant at values of 0.279 to 0.471 for each gender relationship between maximal respiratory pressure and age, height, and weight, respectively. [Conclusion] In this study, we showed pediatric respiratory muscle pressure reference value for each age. In the present study, values for respiratory muscle pressures were lower than Brazilian studies. This suggests that differences in respiratory muscle pressures vary with ethnicity. PMID:28356644
Maximizing exosome colloidal stability following electroporation.
Hood, Joshua L; Scott, Michael J; Wickline, Samuel A
2014-03-01
Development of exosome-based semisynthetic nanovesicles for diagnostic and therapeutic purposes requires novel approaches to load exosomes with cargo. Electroporation has previously been used to load exosomes with RNA. However, investigations into exosome colloidal stability following electroporation have not been considered. Herein, we report the development of a unique trehalose pulse media (TPM) that minimizes exosome aggregation following electroporation. Dynamic light scattering (DLS) and RNA absorbance were employed to determine the extent of exosome aggregation and electroextraction post electroporation in TPM compared to common PBS pulse media or sucrose pulse media (SPM). Use of TPM to disaggregate melanoma exosomes post electroporation was dependent on both exosome concentration and electric field strength. TPM maximized exosome dispersal post electroporation for both homogenous B16 melanoma and heterogeneous human serum-derived populations of exosomes. Moreover, TPM enabled heavy cargo loading of melanoma exosomes with 5nm superparamagnetic iron oxide nanoparticles (SPION5) while maintaining original exosome size and minimizing exosome aggregation as evidenced by transmission electron microscopy. Loading exosomes with SPION5 increased exosome density on sucrose gradients. This provides a simple, label-free means of enriching exogenously modified exosomes and introduces the potential for MRI-driven theranostic exosome investigations in vivo.
Dong, Shibiao; Zhao, Rongtao; Zhu, Jiangong; Lu, Xiao; Li, Yang; Qiu, Shaofu; Jia, Leili; Jiao, Xiong; Song, Shiping; Fan, Chunhai; Hao, RongZhang; Song, HongBin
2015-04-29
A DNA tetrahedral nanostructure-based electrochemical biosensor was developed to detect avian influenza A (H7N9) virus through recognizing a fragment of the hemagglutinin gene sequence. The DNA tetrahedral probe was immobilized onto a gold electrode surface based on self-assembly between three thiolated nucleotide sequences and a longer nucleotide sequence containing complementary DNA to hybridize with the target single-stranded (ss)DNA. The captured target sequence was hybridized with a biotinylated-ssDNA oligonucleotide as a detection probe, and then avidin-horseradish peroxidase was introduced to produce an amperometric signal through the interaction with 3,3',5,5'-tetramethylbenzidine substrate. The target ssDNA was obtained by asymmetric polymerase chain reaction (PCR) of the cDNA template, reversely transcribed from the viral lysate of influenza A (H7N9) virus in throat swabs. The results showed that this electrochemical biosensor could specifically recognize the target DNA fragment of influenza A (H7N9) virus from other types of influenza viruses, such as influenza A (H1N1) and (H3N2) viruses, and even from single-base mismatches of oligonucleotides. Its detection limit could reach a magnitude of 100 fM for target nucleotide sequences. Moreover, the cycle number of the asymmetric PCR could be reduced below three with the electrochemical biosensor still distinguishing the target sequence from the negative control. To the best of our knowledge, this is the first report of the detection of target DNA from clinical samples using a tetrahedral DNA probe functionalized electrochemical biosensor. It displays that the DNA tetrahedra has a great potential application as a probe of the electrochemical biosensor to detect avian influenza A (H7N9) virus and other pathogens at the gene level, which will potentially aid the prevention and control of the disease caused by such pathogens.
Lobach, K. A.; Ovchinnikov, S. G.; Ovchinnikova, T. M.
2015-01-01
For Mott insulators with tetrahedral environment, the effective Hubbard parameter U eff is obtained as a function of pressure. This function is not universal. For crystals with d 5 configuration, the spin crossover suppresses electron correlations, while for d 4 configurations, the parameter U eff increases after a spin crossover. For d 2 and d 7 configurations, U eff increases with pressure in the high-spin (HS) state and is saturated after the spin crossover. Characteristic features of the insulator-metal transition are considered as pressure increases; it is shown that there may exist cascades of several transitions for various configurations.
Catalan Number and Enumeration of Maximal Outerplanar Graphs
无
2000-01-01
Catalan number is an important class of combinatorial numbers. The maximal outerplanar graphs are important in graph theory. In this paper some formulas to enumerate the numbers of maximal outerplanar graphs by means of the compressing graph and group theory method are given first. Then the relationships between Catalan numbers and the numbers of labeled and unlabeled maximal outerplanar graphs are presented. The computed results verified these formulas.
Maximality-Based Structural Operational Semantics for Petri Nets
Saīdouni, Djamel Eddine; Belala, Nabil; Bouneb, Messaouda
2009-03-01
The goal of this work is to exploit an implementable model, namely the maximality-based labeled transition system, which permits to express true-concurrency in a natural way without splitting actions on their start and end events. One can do this by giving a maximality-based structural operational semantics for the model of Place/Transition Petri nets in terms of maximality-based labeled transition systems structures.
Relative advantage, queue jumping, and welfare maximizing wealth distribution
2006-01-01
Suppose individuals get utilities from the total amount of wealth they hold and from their wealth relative to those immediately below them. This paper studies the distribution of wealth that maximizes an additive welfare function made up of these utilities. It interprets wealth distribution in a control theory framework to show that the welfare maximizing distribution may have unexpected properties. In some circumstances it requires that inequality be maximized at the poorest and richest ends...
Maximizers versus satisficers: Decision-making styles, competence, and outcomes
Parker, Andrew M.; Wändi Bruine de Bruin; Baruch Fischhoff
2007-01-01
Our previous research suggests that people reporting a stronger desire to maximize obtain worse life outcomes (Bruine de Bruin et al., 2007). Here, we examine whether this finding may be explained by the decision-making styles of self-reported maximizers. Expanding on Schwartz et al.\\ (2002), we find that self-reported maximizers are more likely to show problematic decision-making styles, as evidenced by self-reports of less behavioral coping, greater dependence on others when making decision...
Maximally entangled states in pseudo-telepathy games
Mančinska, Laura
2015-01-01
A pseudo-telepathy game is a nonlocal game which can be won with probability one using some finite-dimensional quantum strategy but not using a classical one. Our central question is whether there exist two-party pseudo-telepathy games which cannot be won with probability one using a maximally entangled state. Towards answering this question, we develop conditions under which maximally entangled states suffice. In particular, we show that maximally entangled states suffice for weak projection...
Sums of magnetic eigenvalues are maximal on rotationally symmetric domains
Laugesen, Richard S; Roy, Arindam
2011-01-01
The sum of the first n energy levels of the planar Laplacian with constant magnetic field of given total flux is shown to be maximal among triangles for the equilateral triangle, under normalization of the ratio (moment of inertia)/(area)^3 on the domain. The result holds for both Dirichlet and Neumann boundary conditions, with an analogue for Robin (or de Gennes) boundary conditions too. The square similarly maximizes the eigenvalue sum among parallelograms, and the disk maximizes among ellipses. More generally, a domain with rotational symmetry will maximize the magnetic eigenvalue sum among all linear images of that domain. These results are new even for the ground state energy (n=1).
Sums of Laplace eigenvalues - rotationally symmetric maximizers in the plane
Laugesen, R S
2010-01-01
The sum of the first $n \\geq 1$ eigenvalues of the Laplacian is shown to be maximal among triangles for the equilateral triangle, maximal among parallelograms for the square, and maximal among ellipses for the disk, provided the ratio $\\text{(area)}^3/\\text{(moment of inertia)}$ for the domain is fixed. This result holds for both Dirichlet and Neumann eigenvalues, and similar conclusions are derived for Robin boundary conditions and Schr\\"odinger eigenvalues of potentials that grow at infinity. A key ingredient in the method is the tight frame property of the roots of unity. For general convex plane domains, the disk is conjectured to maximize sums of Neumann eigenvalues.
Bavec, Aljoša; Knez, Damijan; Makovec, Tomaž; Stojan, Jure; Gobec, Stanislav; Goličnik, Marko
2014-11-01
Although a recent study of Debord et al. in Biochimie (2014; 97:72-77) described the thermodynamics of the catalysed hydrolysis of phenyl acetate by human paraoxonase-1, the mechanistic details along the reaction route of this enzyme remain unclear. Therefore, we briefly present the solvent kinetic isotope effects on the phenyl acetate esterase activity of paraoxonase-1 and its inhibition with the phenyl methylphosphonate anion, which is a stable isosteric analogue that mimics the high-energy tetrahedral intermediate on the hydroxide-promoted hydrolysis pathway. The data show normal isotope effects, while proton inventory analysis indicates that two protons contribute to the kinetic isotope effect. Coherently, moderate competitive inhibition with the phenyl methylphosphonate anion reveals that the rate-limiting transition state suboptimally resembles the tetrahedral intermediate. The implications of these findings can be attributed to two possible reaction mechanisms that might occur during the paraoxonase-1-catalysed hydrolysis of phenyl acetate. Copyright © 2014 Elsevier B.V. and Société française de biochimie et biologie Moléculaire (SFBBM). All rights reserved.
Mantovani, M. [Instituto de Ciencia de Materiales de Sevilla, Departamento de Quimica Inorganica (CSIC-US) Avda. Americo Vespucio, s/n. 41092 Sevilla (Spain); Escudero, A. [Bayerisches Geoinstitut, Universitaet Bayreuth, Bayeruth 95440 (Germany); Alba, M.D. [Instituto de Ciencia de Materiales de Sevilla, Departamento de Quimica Inorganica (CSIC-US) Avda. Americo Vespucio, s/n. 41092 Sevilla (Spain); Becerro, A.I., E-mail: anieto@icmse.csic.es [Instituto de Ciencia de Materiales de Sevilla, Departamento de Quimica Inorganica (CSIC-US) Avda. Americo Vespucio, s/n. 41092 Sevilla (Spain)
2009-07-15
This paper presents the results of a comprehensive investigation of the interaction of layered silicates with Ca(OH){sub 2} in hydrothermal conditions. The study is intended to evaluate the stability of the clay buffer in radioactive waste repositories, at the intermediate stages of concrete leaching, when the pH is controlled by the dissolution of portlandite. The influence of layer nature, octahedral occupation, presence of tetrahedral Al and degree of crystallinity will be assessed by analysing the behaviour of a set of well-selected phyllosilicates and using the combined capabilities of {sup 29}Si and {sup 27}Al MAS-NMR spectroscopy, powder X-ray diffraction and SEM/EDX. The results show that the main factor affecting the stability of the clay is the octahedral occupation, so that trioctahedral phyllosilicates are much more stable than dioctahedral ones. The nature and expandability of the layer does not seem to much influence the stability of the clay, so that a 2:1 expandable phyllosilicate shows the same stability as a chemically analogous 1:1 non-expandable phyllosilicate. However other factors like the poor crystallinity of the starting material or the presence of Al in the tetrahedral sheet of trioctahedral phyllosilicates weaken the clay structure in alkaline conditions and favour the transformation towards other phases.
LI Yang-xue; XUE Ming; HUANG Lin; CHEN Si-ru; QIU Shi-lun
2013-01-01
Two 3D multifunctional lanthanide metal-organic frameworks(MOFs),Pr(HTCPS)(H2O)·2DMF·C2H5OH·5H2O(JUC-93) and Pr3(TCPS)2(NO3)(H2O)4(DMA)2·2DMA·C2H5OH·3H2(JUC-94)[H4TCPS=tetrakis(4-carboxyphenyl)-silane,DMF=N,N'-dimethylformamide,DMA=N,N'-dimethylacetamide and JUC=Jilin University China] were synthesized by the self-assembly of a rigid silicon-centered tetrahedral carboxylate ligand H4TCPS and Pr(Ⅲ) ions in different solvothermal reactions.X-Ray crystallography revealed that they exhibited a rare CaF2 topology framework,constructed from the 4-connected tetrahedral TCPS unit with the 8-connected dinuclear praseodymium cluster unit and trinuclear praseodymium cluster unit,respectively.In addition,the luminescent and magnetic properties of the two compounds were investigated.
Stan Schein
2016-08-01
Full Text Available The Goldberg construction of symmetric cages involves pasting a patch cut out of a regular tiling onto the faces of a Platonic host polyhedron, resulting in a cage with the same symmetry as the host. For example, cutting equilateral triangular patches from a 6.6.6 tiling of hexagons and pasting them onto the full triangular faces of an icosahedron produces icosahedral fullerene cages. Here we show that pasting cutouts from a 6.6.6 tiling onto the full hexagonal and triangular faces of an Archimedean host polyhedron, the truncated tetrahedron, produces two series of tetrahedral (Td fullerene cages. Cages in the first series have 28n2 vertices (n ≥ 1. Cages in the second (leapfrog series have 3 × 28n2. We can transform all of the cages of the first series and the smallest cage of the second series into geometrically convex equilateral polyhedra. With tetrahedral (Td symmetry, these new polyhedra constitute a new class of “convex equilateral polyhedra with polyhedral symmetry”. We also show that none of the other Archimedean polyhedra, six with octahedral symmetry and six with icosahedral, can host full-face cutouts from regular tilings to produce cages with the host’s polyhedral symmetry.
一种新的基于四面体的体细分方法%A New Volumetric Subdivision Scheme of Tetrahedral Meshes
张华; 潘日晶
2012-01-01
A new subdivision scheme for tetrahedral meshes is proposed. Previous tetra-hedral subdivision schemes encoded directional preferences, or subdivided a tetrahedron into tetrahedrons and octahedrons, which result increased complexity in representation and operation to the meshes. The proposed method solves the problems to a certain extent. For the volumetric meshes of tetrahedron, the inners of the meshes are subdivided by using the volumetric subdivision, and the surfaces of the meshes are subdivided by using a quasi-Loop surface subdivision with a parameter to control the shapes of the solids.%提出了一种新的四面体网格细分方法,之前的体细分方法存在着对角线选择或者四面体细分成四面体和八面体的问题,增加了表示和处理的复杂性.新方法较好地解决了上述问题,对一个由四面体单元组成的网格实体,体内进行体细分,细分后的体网格全部由四面体单元组成,而实体的表面,采用一种带参数的类Loop曲面细分,用于控制实体的形状.
Trend of maximal inspiratory pressure in mechanically ventilated patients: predictors
Pedro Caruso
2008-01-01
Full Text Available INTRODUCTION: It is known that mechanical ventilation and many of its features may affect the evolution of inspiratory muscle strength during ventilation. However, this evolution has not been described, nor have its predictors been studied. In addition, a probable parallel between inspiratory and limb muscle strength evolution has not been investigated. OBJECTIVE: To describe the variation over time of maximal inspiratory pressure during mechanical ventilation and its predictors. We also studied the possible relationship between the evolution of maximal inspiratory pressure and limb muscle strength. METHODS: A prospective observational study was performed in consecutive patients submitted to mechanical ventilation for > 72 hours. The maximal inspiratory pressure trend was evaluated by the linear regression of the daily maximal inspiratory pressure and a logistic regression analysis was used to look for independent maximal inspiratory pressure trend predictors. Limb muscle strength was evaluated using the Medical Research Council score. RESULTS: One hundred and sixteen patients were studied, forty-four of whom (37.9% presented a decrease in maximal inspiratory pressure over time. The members of the group in which maximal inspiratory pressure decreased underwent deeper sedation, spent less time in pressure support ventilation and were extubated less frequently. The only independent predictor of the maximal inspiratory pressure trend was the level of sedation (OR=1.55, 95% CI 1.003 - 2.408; p = 0.049. There was no relationship between the maximal inspiratory pressure trend and limb muscle strength. CONCLUSIONS: Around forty percent of the mechanically ventilated patients had a decreased maximal inspiratory pressure during mechanical ventilation, which was independently associated with deeper levels of sedation. There was no relationship between the evolution of maximal inspiratory pressure and the muscular strength of the limb.
D2-brane Chern-Simons theories: F-maximization = a-maximization
Fluder, Martin
2015-01-01
We study a system of N D2-branes probing a generic Calabi-Yau three-fold singularity in the presence of a non-zero quantized Romans mass n. We argue that the low-energy effective N = 2 Chern-Simons quiver gauge theory flows to a superconformal fixed point in the IR, and construct the dual AdS_4 solution in massive IIA supergravity. We compute the free energy F of the gauge theory on S^3 using localization. In the large N limit we find F = c(nN)^{1/3}a^{2/3}, where c is a universal constant and a is the a-function of the "parent" four-dimensional N = 1 theory on N D3-branes probing the same Calabi-Yau singularity. It follows that maximizing F over the space of admissible R-symmetries is equivalent to maximizing a for this class of theories. Moreover, we show that the gauge theory result precisely matches the holographic free energy of the supergravity solution, and provide a similar matching of the VEV of a BPS Wilson loop operator.
Detrimental Relations of Maximization with Academic and Career Attitudes
Dahling, Jason J.; Thompson, Mindi N.
2013-01-01
Maximization refers to a decision-making style that involves seeking the single best option when making a choice, which is generally dysfunctional because people are limited in their ability to rationally evaluate all options and identify the single best outcome. The vocational consequences of maximization are examined in two samples, college…
An Overview of Maximal Unitarity at Two Loops
Johansson, Henrik; Larsen, Kasper J.
2012-01-01
We discuss the extension of the maximal-unitarity method to two loops, focusing on the example of the planar double box. Maximal cuts are reinterpreted as contour integrals, with the choice of contour fixed by the requirement that integrals of total derivatives vanish on it. The resulting formulae, like their one-loop counterparts, can be applied either analytically or numerically.
The Negative Consequences of Maximizing in Friendship Selection.
Newman, David B; Schug, Joanna; Yuki, Masaki; Yamada, Junko; Nezlek, John B
2017-02-27
Previous studies have shown that the maximizing orientation, reflecting a motivation to select the best option among a given set of choices, is associated with various negative psychological outcomes. In the present studies, we examined whether these relationships extend to friendship selection and how the number of options for friends moderated these effects. Across 5 studies, maximizing in selecting friends was negatively related to life satisfaction, positive affect, and self-esteem, and was positively related to negative affect and regret. In Study 1, a maximizing in selecting friends scale was created, and regret mediated the relationships between maximizing and well-being. In a naturalistic setting in Studies 2a and 2b, the tendency to maximize among those who participated in the fraternity and sorority recruitment process was negatively related to satisfaction with their selection, and positively related to regret and negative affect. In Study 3, daily levels of maximizing were negatively related to daily well-being, and these relationships were mediated by daily regret. In Study 4, we extended the findings to samples from the U.S. and Japan. When participants who tended to maximize were faced with many choices, operationalized as the daily number of friends met (Study 3) and relational mobility (Study 4), the opportunities to regret a decision increased and further diminished well-being. These findings imply that, paradoxically, attempts to maximize when selecting potential friends is detrimental to one's well-being. (PsycINFO Database Record (c) 2017 APA, all rights reserved).
Haemodynamics during maximal exercise after coronary bypass surgery
P.W.J.C. Serruys (Patrick); M.F. Rousseau (Francois); J. Cosyns; R. Ponlot; L.A. Brasseur; J-M.R. Detry (Jean-Marie)
1978-01-01
textabstractFifty patients underwent an objective measurement of physical working capacity by means of a multistage test of maximally tolerated exertion before and after coronary bypass surgery; 29 patients also had haemodynamic measurements during maximal exercise before and after coronary bypass s
Utility maximization under solvency constraints and unhedgeable risks
T. Kleinow; A. Pelsser
2008-01-01
We consider the utility maximization problem for an investor who faces a solvency or risk constraint in addition to a budget constraint. The investor wishes to maximize her expected utility from terminal wealth subject to a bound on her expected solvency at maturity. We measure solvency using a solv
Detrimental Relations of Maximization with Academic and Career Attitudes
Dahling, Jason J.; Thompson, Mindi N.
2013-01-01
Maximization refers to a decision-making style that involves seeking the single best option when making a choice, which is generally dysfunctional because people are limited in their ability to rationally evaluate all options and identify the single best outcome. The vocational consequences of maximization are examined in two samples, college…
On a discrete version of Tanaka's theorem for maximal functions
Bober, Jonathan; Hughes, Kevin; Pierce, Lillian B
2010-01-01
In this paper we prove a discrete version of Tanaka's Theorem \\cite{Ta} for the Hardy-Littlewood maximal operator in dimension $n=1$, both in the non-centered and centered cases. For the discrete non-centered maximal operator $\\wM $ we prove that, given a function $f: \\Z \\to \\R$ of bounded variation,
Haemodynamics during maximal exercise after coronary bypass surgery
P.W.J.C. Serruys (Patrick); M.F. Rousseau (Francois); J. Cosyns; R. Ponlot; L.A. Brasseur; J-M.R. Detry (Jean-Marie)
1978-01-01
textabstractFifty patients underwent an objective measurement of physical working capacity by means of a multistage test of maximally tolerated exertion before and after coronary bypass surgery; 29 patients also had haemodynamic measurements during maximal exercise before and after coronary bypass
A Class of Maximal Functions with Oscillating Kernels
Ahmad AL-SALMAN
2007-01-01
The author studies the Lp mapping properties of a class of maximal functions that are related to oscillatory singular integral operators. Lp estimates, as well as the corresponding weighted estimates of such maximal functions, are obtained. Moreover, several applications of our results are highlighted.
ESTIMATES FOR THE MAXIMAL MULTILINEAR SINGULAR INTEGRAL OPERATORS
Yulan Jiao
2010-01-01
In this paper,some mapping properties are considered for the maximal multilinear singular integral operator whose kernel satisfies certain minimum regularity condition.It is proved that certain uniform local estimate for doubly truncated operators implies the LP(Rn)(1
maximal operator.
Maximally Flat Waveforms Operation of Class-F Power Amplifiers
V. Krizhanovski
2001-04-01
Full Text Available The requirements to output network's impedance on higher harmoniccomponents and appropriate input driving for formation maximally flatwaveforms of drain current and voltage were presented. Using suchwaveforms allows obtaining maximal efficiency and output powercapability of class-F power amplifiers.
Entanglement of Superpositions of Orthogonal Maximally Entangled States
ZHANG Dao-Hua; ZHOU Duan-Lu; FAN Heng
2010-01-01
@@ We study the entanglement properties of the superposed state of orthogonal maximally entangled states.It is shown that the superposed state is maximally entangled and the superposed state is separable.The relation between the superposed state and the mutually unbiased state is discussed.
CHROMATIC NUMBER OF SQUARE OF MAXIMAL OUTERPLANAR GRAPHS
Luo Xiaofang
2007-01-01
Let χ(G2) denote the chromatic number of the square of a maximal outerplanar graph G and Q denote a maximal outerplanar graph obtained by adding three chords and χ(G2) = Δ + 2 if and only if G is Q, where Δ represents the maximum degree of G.
SAR image target segmentation based on entropy maximization and morphology
柏正尧; 刘洲峰; 何佩琨
2004-01-01
Entropy maximization thresholding is a simple, effective image segmentation method. The relation between the histogram entropy and the gray level of an image is analyzed. An approach, which speeds the computation of optimal threshold based on entropy maximization, is proposed. The suggested method has been applied to the synthetic aperture radar (SAR) image targets segmentation. Mathematical morphology works well in reducing the residual noise.
Effect of Age and Other Factors on Maximal Heart Rate.
Londeree, Ben R.; Moeschberger, Melvin L.
1982-01-01
To reduce confusion regarding reported effects of age on maximal exercise heart rate, a comprehensive review of the relevant English literature was conducted. Data on maximal heart rate after exercising with a bicycle, a treadmill, and after swimming were analyzed with regard to physical fitness and to age, sex, and racial differences. (Authors/PP)
On the maximal efficiency of the collisional Penrose process
Leiderschneider, Elly
2015-01-01
The center of mass (CM) energy in a collisional Penrose process - a collision taking place within the ergosphere of a Kerr black hole - can diverge under suitable extreme conditions (maximal Kerr, near horizon collision and suitable impact parameters). We present an analytic expression for the CM energy, refining expressions given in the literature. Even though the CM energy diverges, we show that the maximal energy attained by a particle that escapes the black hole's gravitational pull and reaches infinity is modest. We obtain an analytic expression for the energy of an escaping particle resulting from a collisional Penrose process, and apply it to derive the maximal energy and the maximal efficiency for several physical scenarios: pair annihilation, Compton scattering, and the elastic scattering of two massive particles. In all physically reasonable cases (in which the incident particles initially fall from infinity towards the black hole) the maximal energy (and the corresponding efficiency) are only one o...
Berthon, P; Fellmann, N
2002-09-01
The maximal aerobic velocity concept developed since eighties is considered as either the minimal velocity which elicits the maximal aerobic consumption or as the "velocity associated to maximal oxygen consumption". Different methods for measuring maximal aerobic velocity on treadmill in laboratory conditions have been elaborated, but all these specific protocols measure V(amax) either during a maximal oxygen consumption test or with an association of such a test. An inaccurate method presents a certain number of problems in the subsequent use of the results, for example in the elaboration of training programs, in the study of repeatability or in the determination of individual limit time. This study analyzes 14 different methods to understand their interests and limits in view to propose a general methodology for measuring V(amax). In brief, the test should be progressive and maximal without any rest period and of 17 to 20 min total duration. It should begin with a five min warm-up at 60-70% of the maximal aerobic power of the subjects. The beginning of the trial should be fixed so that four or five steps have to be run. The duration of the steps should be three min with a 1% slope and an increasing speed of 1.5 km x h(-1) until complete exhaustion. The last steps could be reduced at two min for a 1 km x h(-1) increment. The maximal aerobic velocity is adjusted in relation to duration of the last step.
Tavelli, Maurizio; Dumbser, Michael
2016-08-01
In this paper we propose a novel arbitrary high order accurate semi-implicit space-time discontinuous Galerkin method for the solution of the three-dimensional incompressible Navier-Stokes equations on staggered unstructured curved tetrahedral meshes. As is typical for space-time DG schemes, the discrete solution is represented in terms of space-time basis functions. This allows to achieve very high order of accuracy also in time, which is not easy to obtain for the incompressible Navier-Stokes equations. Similarly to staggered finite difference schemes, in our approach the discrete pressure is defined on the primary tetrahedral grid, while the discrete velocity is defined on a face-based staggered dual grid. While staggered meshes are state of the art in classical finite difference schemes for the incompressible Navier-Stokes equations, their use in high order DG schemes is still quite rare. A very simple and efficient Picard iteration is used in order to derive a space-time pressure correction algorithm that achieves also high order of accuracy in time and that avoids the direct solution of global nonlinear systems. Formal substitution of the discrete momentum equation on the dual grid into the discrete continuity equation on the primary grid yields a very sparse five-point block system for the scalar pressure, which is conveniently solved with a matrix-free GMRES algorithm. From numerical experiments we find that the linear system seems to be reasonably well conditioned, since all simulations shown in this paper could be run without the use of any preconditioner, even up to very high polynomial degrees. For a piecewise constant polynomial approximation in time and if pressure boundary conditions are specified at least in one point, the resulting system is, in addition, symmetric and positive definite. This allows us to use even faster iterative solvers, like the conjugate gradient method. The flexibility and accuracy of high order space-time DG methods on curved
Inquiry in bibliography some of the bustan`s maxim
sajjad rahmatian
2016-12-01
Full Text Available Sa`di is on of those poets who`s has placed a special position to preaching and guiding the people and among his works, allocated throughout the text of bustan to advice and maxim on legal and ethical various subjects. Surely, sa`di on the way of to compose this work and expression of its moral point, direct or indirect have been affected by some previous sources and possibly using their content. The main purpose of this article is that the pay review of basis and sources of bustan`s maxims and show that sa`di when expression the maxims of this work has been affected by which of the texts and works. For this purpose is tried to with search and research on the resources that have been allocated more or less to the aphorisms, to discover and extract traces of influence sa`di from their moral and didactic content. From the most important the finding of this study can be mentioned that indirect effect of some pahlavi books of maxim (like maxims of azarbad marespandan and bozorgmehr book of maxim and also noted sa`di directly influenced of moral and ethical works of poets and writers before him, and of this, sa`di`s influence from abo- shakur balkhi maxims, ferdowsi and keikavus is remarkable and noteworthy.
Maximal strength training improves cycling economy in competitive cyclists.
Sunde, Arnstein; Støren, Oyvind; Bjerkaas, Marius; Larsen, Morten H; Hoff, Jan; Helgerud, Jan
2010-08-01
The purpose of the present study was to investigate the effect of maximal strength training on cycling economy (CE) at 70% of maximal oxygen consumption (Vo2max), work efficiency in cycling at 70% Vo2max, and time to exhaustion at maximal aerobic power. Responses in 1 repetition maximum (1RM) and rate of force development (RFD) in half-squats, Vo2max, CE, work efficiency, and time to exhaustion at maximal aerobic power were examined. Sixteen competitive road cyclists (12 men and 4 women) were randomly assigned into either an intervention or a control group. Thirteen (10 men and 3 women) cyclists completed the study. The intervention group (7 men and 1 woman) performed half-squats, 4 sets of 4 repetitions maximum, 3 times per week for 8 weeks, as a supplement to their normal endurance training. The control group continued their normal endurance training during the same period. The intervention manifested significant (p < 0.05) improvements in 1RM (14.2%), RFD (16.7%), CE (4.8%), work efficiency (4.7%), and time to exhaustion at pre-intervention maximal aerobic power (17.2%). No changes were found in Vo2max or body weight. The control group exhibited an improvement in work efficiency (1.4%), but this improvement was significantly (p < 0.05) smaller than that in the intervention group. No changes from pre- to postvalues in any of the other parameters were apparent in the control group. In conclusion, maximal strength training for 8 weeks improved CE and efficiency and increased time to exhaustion at maximal aerobic power among competitive road cyclists, without change in maximal oxygen uptake, cadence, or body weight. Based on the results from the present study, we advise cyclists to include maximal strength training in their training programs.
The Maximal Graded Left Quotient Algebra of a Graded Algebra
Gonzalo ARANDA PINO; Mercedes SILES MOLINA
2006-01-01
We construct the maximal graded left quotient algebra of every graded algebra A without homogeneous total right zero divisors as the direct limit of graded homomorphisms (of left A-modules)from graded dense left ideals of A into a graded left quotient algebra of A. In the case of a superalgebra,and with some extra hypothesis, we prove that the component in the neutral element of the group of the maximal graded left quotient algebra coincides with the maximal left quotient algebra of the component in the neutral element of the group of the superalgebra.
Maximal regularity of second order delay equations in Banach spaces
无
2010-01-01
We give necessary and sufficient conditions of Lp-maximal regularity(resp.B sp ,q-maximal regularity or F sp ,q-maximal regularity) for the second order delay equations:u″(t)=Au(t) + Gu’t + F u t + f(t), t ∈ [0, 2π] with periodic boundary conditions u(0)=u(2π), u′(0)=u′(2π), where A is a closed operator in a Banach space X,F and G are delay operators on Lp([-2π, 0];X)(resp.Bsp ,q([2π, 0];X) or Fsp,q([-2π, 0;X])).
Building hospital TQM teams: effective polarity analysis and maximization.
Hurst, J B
1996-09-01
Building and maintaining teams require careful attention to and maximization of such polar opposites (¿polarities¿) as individual and team, directive and participatory leadership, task and process, and stability and change. Analyzing systematic elements of any polarity and listing blocks, supports, and flexible ways to maximize it will prevent the negative consequences that occur when treating a polarity like a solvable problem. Flexible, well-timed shifts from pole to pole result in the maximization of upside and minimization of downside consequences.
People believe each other to be selfish hedonic maximizers.
De Vito, Stefania; Bonnefon, Jean-François
2014-10-01
Current computational models of theory of mind typically assume that humans believe each other to selfishly maximize utility, for a conception of utility that makes it indistinguishable from personal gains. We argue that this conception is at odds with established facts about human altruism, as well as the altruism that humans expect from each other. We report two experiments showing that people expect other agents to selfishly maximize their pleasure, even when these other agents behave altruistically. Accordingly, defining utility as pleasure permits us to reconcile the assumption that humans expect each other to selfishly maximize utility with the fact that humans expect each other to behave altruistically.
Lp Estimates of Rough Maximal Functions Along Surfaces with Applications
Ahmad AL-SALMAN; Abdulla M. JARRAH
2016-01-01
In this paper, we study the Lp mapping properties of certain class of maximal oscillatory singular integral operators. We prove a general theorem for a class of maximal functions along surfaces. As a consequence of such theorem, we establish the Lp boundedness of various maximal oscillatory singular integrals provided that their kernels belong to the natural space L log L(Sn−1). Moreover, we highlight some additional results concerning operators with kernels in certain block spaces. The results in this paper substantially improve previously known results.
Ba3(P1−MnO4)2 : Blue/green inorganic materials based on tetrahedral Mn(V)
Sourav Laha; Rohit Sharma; S V Bhat; M L P Reddy; J Gopalakrishnan; S Natarajan
2011-10-01
We describe a blue/green inorganic material, Ba3(P1−MnO4)2 (I) based on tetrahedral MnO$^{3-}_{4}$ :32 chromophore. The solid solutions (I) which are sky-blue and turquoise-blue for ≤ 0.25 and dark green for ≥ 0.50, are readily synthesized in air from commonly available starting materials, stabilizing the MnO$^{3-}_{4}$ chromophore in an isostructural phosphate host. We suggest that the covalency/ionicity of P–O/Mn–O bonds in the solid solutions tunes the crystal field strength around Mn(V) such that a blue colour results for materials with small values of . The material could serve as a nontoxic blue/green inorganic pigment.
Lobach, K. A., E-mail: ks-ad@yandex.ru; Ovchinnikov, S. G., E-mail: sgo@iph.krasn.ru [Siberian Federal University (Russian Federation); Ovchinnikova, T. M. [Russian Academy of Sciences, Sukachev Institute of Forest, Siberian Branch (Russian Federation)
2015-01-15
For Mott insulators with tetrahedral environment, the effective Hubbard parameter U{sub eff} is obtained as a function of pressure. This function is not universal. For crystals with d{sup 5} configuration, the spin crossover suppresses electron correlations, while for d{sup 4} configurations, the parameter U{sub eff} increases after a spin crossover. For d{sup 2} and d{sup 7} configurations, U{sub eff} increases with pressure in the high-spin (HS) state and is saturated after the spin crossover. Characteristic features of the insulator-metal transition are considered as pressure increases; it is shown that there may exist cascades of several transitions for various configurations.
Jensen, J.; Lemmens, P.; Gros, C.
2003-12-01
Raman light-scattering experiments in the antiferromagnetic phase of the Cu2Te2O5(Br1 - xClx)2 compounds are analyzed in terms of a dimerized spin model for the tetrahedral Cu-clusters. It is shown that the longitudinal magnetic excitation in the pure Br system hybridizes with a localized singlet excitation due to the presence of a Dzyaloshinskii-Moriya anisotropy term. The drastic change of the magnetic scattering intensities observed when a proportion of Br is replaced by Cl ions, is proposed to be caused by a change of the magnetic order parameter. Instead of being parallel/antiparallel with each other, the spins in the two pairs of spin-½ order perpendicular to each other, when the composition x is larger than about 0.25.
Tanaka, Masashi; Zhang, Shuai; Inumaru, Kei; Yamanaka, Shoji
2013-05-20
The Zintl compound CaAl2Si2 peritectically decomposes to a new ternary cubic Laves phase Ca(Al,Si)2 and an Al-Si eutectic at temperatures above 750 °C under a pressure of 13 GPa. The ternary Laves phase compound can also be prepared as solid solutions Ca(Al(1-x)Si(x))2 (0.35 ≤ x ≤ 0.75) directly from the ternary mixtures under high-pressure and high-temperature conditions. The cubic Laves phase structure can be regarded as a type of clathrate compound composed of face-sharing truncated tetrahedral cages with Ca atoms at the center, Ca@(Al,Si)12. The compound with a stoichiometric composition CaAlSi exhibits superconductivity with a transition temperature of 2.6 K. This is the first superconducting Laves phase compound composed solely of commonly found elements.
JONG WOON KIM
2014-04-01
In this paper, we introduce a modified scattering kernel approach to avoid the unnecessarily repeated calculations involved with the scattering source calculation, and used it with parallel computing to effectively reduce the computation time. Its computational efficiency was tested for three-dimensional full-coupled photon-electron transport problems using our computer program which solves the multi-group discrete ordinates transport equation by using the discontinuous finite element method with unstructured tetrahedral meshes for complicated geometrical problems. The numerical tests show that we can improve speed up to 17∼42 times for the elapsed time per iteration using the modified scattering kernel, not only in the single CPU calculation but also in the parallel computing with several CPUs.
Maximally entangled state can be a mixed state
Li, Zong-Guo; Fei, Shao-Ming; Fan, Heng; Liu, W M
2009-01-01
We present mixed maximally entangled states in d\\otimes d' (d'\\geq 2d) spaces. This result is beyond the generally accepted fact that all maximally entangled states are pure. These states possess important properties of the pure maximally entangled states in $d\\otimes d$ systems, for example, they can be used as a resource for faithful teleportation, their local distinguishability property is also the same as the pure states case. On the other hand, one advantage of these mixed maximally entangled states is that the decoherence induced by certain noisy quantum channel does not destroy their entanglement. Thus one party of these mixed states can be sent through this channel to arbitrary distance while still keeping them as a valuable resource for quantum information processing. We also propose a scheme to prepare these states and confirm their advantage in NMR physical system.
Groups Satisfying the Maximal Condition on Non-modular Subgroups
Maria De Falco; Carmela Musella
2005-01-01
In this paper, (generalized) soluble groups for which the set of non-modular subgroups verifies the maximal condition and groups for which the set of non-permutable subgroups satisfies the same property are classified.
Maximizing antimalarial efficacy and the importance of dosing strategies
Beeson, James G; Boeuf, Philippe; Fowkes, Freya J I
2015-01-01
.... Without new drugs to replace artemisinins, it is essential to define dosing strategies that maximize therapeutic efficacy, limit the spread of resistance, and preserve the clinical value of ACTs...
Maximal entanglement versus entropy for mixed quantum states
Wei, T C; Goldbart, P M; Kwiat, P G; Munro, W J; Verstraete, F; Wei, Tzu-Chieh; Nemoto, Kae; Goldbart, Paul M.; Kwiat, Paul G.; Munro, William J.; Verstraete, Frank
2003-01-01
Maximally entangled mixed states are those states that, for a given mixedness, achieve the greatest possible entanglement. For two-qubit systems and for various combinations of entanglement and mixedness measures, the form of the corresponding maximally entangled mixed states is determined primarily analytically. As measures of entanglement, we consider entanglement of formation, relative entropy of entanglement, and negativity; as measures of mixedness, we consider linear and von Neumann entropies. We show that the forms of the maximally entangled mixed states can vary with the combination of (entanglement and mixedness) measures chosen. Moreover, for certain combinations, the forms of the maximally entangled mixed states can change discontinuously at a specific value of the entropy.
Carnot cycle at finite power: attainability of maximal efficiency.
Allahverdyan, Armen E; Hovhannisyan, Karen V; Melkikh, Alexey V; Gevorkian, Sasun G
2013-08-01
We want to understand whether and to what extent the maximal (Carnot) efficiency for heat engines can be reached at a finite power. To this end we generalize the Carnot cycle so that it is not restricted to slow processes. We show that for realistic (i.e., not purposefully designed) engine-bath interactions, the work-optimal engine performing the generalized cycle close to the maximal efficiency has a long cycle time and hence vanishing power. This aspect is shown to relate to the theory of computational complexity. A physical manifestation of the same effect is Levinthal's paradox in the protein folding problem. The resolution of this paradox for realistic proteins allows to construct engines that can extract at a finite power 40% of the maximally possible work reaching 90% of the maximal efficiency. For purposefully designed engine-bath interactions, the Carnot efficiency is achievable at a large power.
Maximal induced paths and minimal percolating sets in hypercubes
Anil M. Shende
2015-01-01
Full Text Available For a graph $G$, the \\emph{$r$-bootstrap percolation} process can be described as follows: Start with an initial set $A$ of "infected'' vertices. Infect any vertex with at least $r$ infected neighbours, and continue this process until no new vertices can be infected. $A$ is said to \\emph{percolate in $G$} if eventually all the vertices of $G$ are infected. $A$ is a \\emph{minimal percolating set} in $G$ if $A$ percolates in $G$ and no proper subset of $A$ percolates in $G$. An induced path, $P$, in a hypercube $Q_n$ is maximal if no induced path in $Q_n$ properly contains $P$. Induced paths in hypercubes are also called snakes. We study the relationship between maximal snakes and minimal percolating sets (under 2-bootstrap percolation in hypercubes. In particular, we show that every maximal snake contains a minimal percolating set, and that every minimal percolating set is contained in a maximal snake.
Sensitivity to conversational maxims in deaf and hearing children.
Surian, Luca; Tedoldi, Mariantonia; Siegal, Michael
2010-09-01
We investigated whether access to a sign language affects the development of pragmatic competence in three groups of deaf children aged 6 to 11 years: native signers from deaf families receiving bimodal/bilingual instruction, native signers from deaf families receiving oralist instruction and late signers from hearing families receiving oralist instruction. The performance of these children was compared to a group of hearing children aged 6 to 7 years on a test designed to assess sensitivity to violations of conversational maxims. Native signers with bimodal/bilingual instruction were as able as the hearing children to detect violations that concern truthfulness (Maxim of Quality) and relevance (Maxim of Relation). On items involving these maxims, they outperformed both the late signers and native signers attending oralist schools. These results dovetail with previous findings on mindreading in deaf children and underscore the role of early conversational experience and instructional setting in the development of pragmatics.
Classification of conformal representations induced from the maximal cuspidal parabolic
Dobrev, V. K., E-mail: dobrev@inrne.bas.bg [Scuola Internazionale Superiore di Studi Avanzati (Italy)
2017-03-15
In the present paper we continue the project of systematic construction of invariant differential operators on the example of representations of the conformal algebra induced from the maximal cuspidal parabolic.
A New Augmentation Based Algorithm for Extracting Maximal Chordal Subgraphs.
Bhowmick, Sanjukta; Chen, Tzu-Yi; Halappanavar, Mahantesh
2015-02-01
A graph is chordal if every cycle of length greater than three contains an edge between non-adjacent vertices. Chordal graphs are of interest both theoretically, since they admit polynomial time solutions to a range of NP-hard graph problems, and practically, since they arise in many applications including sparse linear algebra, computer vision, and computational biology. A maximal chordal subgraph is a chordal subgraph that is not a proper subgraph of any other chordal subgraph. Existing algorithms for computing maximal chordal subgraphs depend on dynamically ordering the vertices, which is an inherently sequential process and therefore limits the algorithms' parallelizability. In this paper we explore techniques to develop a scalable parallel algorithm for extracting a maximal chordal subgraph. We demonstrate that an earlier attempt at developing a parallel algorithm may induce a non-optimal vertex ordering and is therefore not guaranteed to terminate with a maximal chordal subgraph. We then give a new algorithm that first computes and then repeatedly augments a spanning chordal subgraph. After proving that the algorithm terminates with a maximal chordal subgraph, we then demonstrate that this algorithm is more amenable to parallelization and that the parallel version also terminates with a maximal chordal subgraph. That said, the complexity of the new algorithm is higher than that of the previous parallel algorithm, although the earlier algorithm computes a chordal subgraph which is not guaranteed to be maximal. We experimented with our augmentation-based algorithm on both synthetic and real-world graphs. We provide scalability results and also explore the effect of different choices for the initial spanning chordal subgraph on both the running time and on the number of edges in the maximal chordal subgraph.
IMRank: Influence Maximization via Finding Self-Consistent Ranking
Cheng, Suqi; Shen, Hua-Wei; Huang, Junming; Chen, Wei; Cheng, Xue-Qi
2014-01-01
Influence maximization, fundamental for word-of-mouth marketing and viral marketing, aims to find a set of seed nodes maximizing influence spread on social network. Early methods mainly fall into two paradigms with certain benefits and drawbacks: (1)Greedy algorithms, selecting seed nodes one by one, give a guaranteed accuracy relying on the accurate approximation of influence spread with high computational cost; (2)Heuristic algorithms, estimating influence spread using efficient heuristics,...
Probing the deviation from maximal mixing of atmospheric neutrinos
Choubey, S; Choubey, Sandhya; Roy, Probir
2006-01-01
Pioneering atmospheric muon neutrino experiments have demonstrated the near-maximal magnitude of the flavor mixing angle $\\theta_{23}$. But the precise value of the deviation $D \\equiv 1/2 - \\sin^2 \\theta_{23}$ from maximality (if nonzero) needs to be known, being of great interest -- especially to builders of neutrino mass and mixing models. We quantitatively investigate in a three generation framework the feasibility of determining $D$ in a statistically significant manner from studies of the atmospheric $\
Shareholder, stakeholder-owner or broad stakeholder maximization
Mygind, Niels
2004-01-01
including the shareholders of a company. Although it may be the ultimate goal for Corporate Social Responsibility to achieve this kind of maximization, broad stakeholder maximization is quite difficult to give a precise definition. There is no one-dimensional measure to add different stakeholder benefits...... by other stakeholders' interests. These constraints vary for dif-ferent stakeholder owners and new standards for Corporate Social Responsibility and more active political consumers will strengthen these constraints....
Maximal speed of particles in super-Lévy process
LIN Zheng-yan; CHENG Zong-mao
2008-01-01
We introduce a super-Lévy process and study maximal speed of all particles process is a measure on the set of paths.We study the maximal speed of all particles during a given time period,which turns out to be a function of the packing dimension of the time period.We calculate the Hausdorff dimension of the set of a-fast patlls in the support and the range of the historical super-lévy process.
Evolution of Shanghai STOCK Market Based on Maximal Spanning Trees
Yang, Chunxia; Shen, Ying; Xia, Bingying
2013-01-01
In this paper, using a moving window to scan through every stock price time series over a period from 2 January 2001 to 11 March 2011 and mutual information to measure the statistical interdependence between stock prices, we construct a corresponding weighted network for 501 Shanghai stocks in every given window. Next, we extract its maximal spanning tree and understand the structure variation of Shanghai stock market by analyzing the average path length, the influence of the center node and the p-value for every maximal spanning tree. A further analysis of the structure properties of maximal spanning trees over different periods of Shanghai stock market is carried out. All the obtained results indicate that the periods around 8 August 2005, 17 October 2007 and 25 December 2008 are turning points of Shanghai stock market, at turning points, the topology structure of the maximal spanning tree changes obviously: the degree of separation between nodes increases; the structure becomes looser; the influence of the center node gets smaller, and the degree distribution of the maximal spanning tree is no longer a power-law distribution. Lastly, we give an analysis of the variations of the single-step and multi-step survival ratios for all maximal spanning trees and find that two stocks are closely bonded and hard to be broken in a short term, on the contrary, no pair of stocks remains closely bonded for a long time.
李波; 苏党生
2014-01-01
Nanostructured carbon materials have become an important class of non-metal catalysts. One of the effective ways to tailor the properties of nanostructured carbon catalysts is heteroatoms doping. In the current study, three cases were selected to demonstrate the effects of heteroatoms doping with boron or nitrogen. They were partial oxidation of methane, selectivity in oxidative dehydrogenation reaction, and halogenation of acetylene. Computational studies revealed that doping did enhance the catalytic capabilities of nanostructured carbon catalysts. Moreover it could modulate the electronic structure and acid/base properties of the catalysts. The reaction mechanism was different from metal catalyst. Overall, the current study is crucial for the further development of nanostructured carbon catalysts and sheds light on the new strategy for optimization of catalytic performance.%纳米碳材料已经成为一类重要的非金属催化剂。通过在纳米碳材料催化剂中引入杂原子可以有效地改变催化剂的性能。通过3个研究实例分别说明了杂原子硼和氮在甲烷部分氧化、氧化脱氢反应中乙烯选择性和乙炔卤化反应中的作用和机理。通过研究表明硼和氮杂原子可以优化纳米碳材料的催化效果，改变催化剂的电子结构和酸碱性，揭示了碳材料与金属催化剂的不同作用机理。当前计算结果可为进一步提高纳米碳材料催化剂催化能力奠定基础。
Maurice Schiff
1995-03-01
Full Text Available The traditional literature derives optimum and revenue-maximizing export taxes within two-country models. with one exporter and one importer (Johnson 1950-51, Tower 1977. In reality, most products, including primary products. are exported by several countries. In this paper, we present a theory of trade taxes in a three-country framework. This enables us to deal with strategic interactions among exporting countries. We show that (i if one of the countries is a Stackelberg leader, both countries improve their welfare relative to Nash equilibrium, and in the symmetric case, the follower's welfare is higher than that of the leader; (ii the revenue-maximizing Nash tax is larger than the optimum tax for each country; and (iii welfare may be higher in the revenue-maximizing Nash equilibrium than in the welfare-maximizing Nash equilibrium, a result which cannot arise in two-country models. The traditional literature derives optimum and revenue-maximizing export taxes within two-country models. with one exporter and one importer (Johnson 1950-51, Tower 1977. In reality, most products, including primary products. are exported by several countries. In this paper, we present a theory of trade taxes in a three-country framework. This enables us to deal with strategic interactions among exporting countries. We show that (i if one of the countries is a Stackelberg leader, both countries improve their welfare relative to Nash equilibrium, and in the symmetric case, the follower's welfare is higher than that of the leader; (ii the revenue-maximizing Nash tax is larger than the optimum tax for each country; and (iii welfare may be higher in the revenue-maximizing Nash equilibrium than in the welfare-maximizing Nash equilibrium, a result which cannot arise in two-country models.
Eleutherococcus senticosus (Rupr. & Maxim.) Maxim. (Araliaceae) as an adaptogen: a closer look.
Davydov, M; Krikorian, A D
2000-10-01
The adaptogen concept is examined from an historical, biological, chemical, pharmacological and medical perspective using a wide variety of primary and secondary literature. The definition of an adaptogen first proposed by Soviet scientists in the late 1950s, namely that an adaptogen is any substance that exerts effects on both sick and healthy individuals by 'correcting' any dysfunction(s) without producing unwanted side effects, was used as a point of departure. We attempted to identify critically what an adaptogen supposedly does and to determine whether the word embodies in and of itself any concept(s) acceptable to western conventional (allopathic) medicine. Special attention was paid to the reported pharmacological effects of the 'adaptogen-containing plant' Eleutherococcus senticosus (Rupr. & Maxim.) Maxim. (Araliaceae), referred to by some as 'Siberian ginseng', and to its secondary chemical composition. We conclude that so far as specific pharmacological activities are concerned there are a number of valid arguments for equating the action of so-called adaptogens with those of medicinal agents that have activities as anti-oxidants, and/or anti-cancerogenic, immunomodulatory and hypocholesteroletic as well as hypoglycemic and choleretic action. However, 'adaptogens' and 'anti-oxidants' etc. also show significant dissimilarities and these are discussed. Significantly, the classical definition of an adaptogen has much in common with views currently being invoked to describe and explain the 'placebo effect'. Nevertheless, the chemistry of the secondary compounds of Eleutherococcus isolated thus far and their pharmacological effects support our hypothesis that the reported beneficial effects of adaptogens derive from their capacity to exert protective and/or inhibitory action against free radicals. An inventory of the secondary substances contained in Eleutherococcus discloses a potential for a wide range of activities reported from work on cultured cell lines
The Automorphism Groups of a Family of Maximal Curves
Guralnick, Robert; Pries, Rachel
2011-01-01
The Hasse Weil bound restricts the number of points of a curve which are defined over a finite field; if the number of points meets this bound, the curve is called maximal. Giulietti and Korchmaros introduced a curve C_3 which is maximal over F_{q^6} and determined its automorphism group. Garcia, Guneri, and Stichtenoth generalized this construction to a family of curves C_n, indexed by an odd integer n greater than or equal to 3, such that C_n is maximal over F_{q^{2n}}. In this paper, we determine the automorphism group Aut(C_n) when n > 3; in contrast with the case n=3, it fixes the point at infinity on C_n. The proof requires a new structural result about automorphism groups of curves in characteristic p such that each Sylow p-subgroup has exactly one fixed point. MSC:11G20, 14H37.
Online Learning of Assignments that Maximize Submodular Functions
Golovin, Daniel; Streeter, Matthew
2009-01-01
Which ads should we display in sponsored search in order to maximize our revenue? How should we dynamically rank information sources to maximize value of information? These applications exhibit strong diminishing returns: Selection of redundant ads and information sources decreases their marginal utility. We show that these and other problems can be formalized as repeatedly selecting an assignment of items to positions to maximize a sequence of monotone submodular functions that arrive one by one. We present an efficient algorithm for this general problem and analyze it in the no-regret model. Our algorithm possesses strong theoretical guarantees, such as a performance ratio that converges to the optimal constant of 1-1/e. We empirically evaluate our algorithm on two real-world online optimization problems on the web: ad allocation with submodular utilities, and dynamically ranking blogs to detect information cascades.
Optimal bounded control for maximizing reliability of Duhem hysteretic systems
Ming XU; Xiaoling JIN; Yong WANG; Zhilong HUANG
2015-01-01
The optimal bounded control of stochastic-excited systems with Duhem hysteretic components for maximizing system reliability is investigated. The Duhem hysteretic force is transformed to energy-depending damping and stiffness by the energy dissipation balance technique. The controlled system is transformed to the equivalent non-hysteretic system. Stochastic averaging is then implemented to obtain the Itˆo stochastic equation associated with the total energy of the vibrating system, appropriate for eval-uating system responses. Dynamical programming equations for maximizing system re-liability are formulated by the dynamical programming principle. The optimal bounded control is derived from the maximization condition in the dynamical programming equa-tion. Finally, the conditional reliability function and mean time of first-passage failure of the optimal Duhem systems are numerically solved from the Kolmogorov equations. The proposed procedure is illustrated with a representative example.
Eccentric exercise decreases maximal insulin action in humans
Asp, Svend; Daugaard, J R; Kristiansen, S
1996-01-01
1. Unaccustomed eccentric exercise decreases whole-body insulin action in humans. To study the effects of one-legged eccentric exercise on insulin action in muscle and systemically, the euglycaemic clamp technique combined with arterial and bilateral femoral venous catheterization was used. Seven...... subjects participated in two euglycaemic clamps, performed in random order. One clamp was preceded 2 days earlier by one-legged eccentric exercise (post-eccentric exercise clamp (PEC)) and one was without the prior exercise (control clamp (CC)). 2. During PEC the maximal insulin-stimulated glucose uptake......) necessary to maintain euglycaemia during maximal insulin stimulation was lower during PEC compared with CC (15.7%, 81.3 +/- 3.2 vs. 96.4 +/- 8.8 mumol kg-1 min-1, P eccentric exercise, muscle and whole-body insulin action is impaired at maximal...
Cross-Order Integral Relations from Maximal Cuts
Johansson, Henrik; Larsen, Kasper J.; Søgaard, Mads
2015-01-01
We study the ABDK relation using maximal cuts of one- and two-loop integrals with up to five external legs. We show how to find a special combination of integrals that allows the relation to exist, and how to reconstruct the terms with one-loop integrals squared. The reconstruction relies on the observation that integrals across different loop orders can have support on the same generalized unitarity cuts and can share global poles. We discuss the appearance of nonhomologous integration contours in multivariate residues. Their origin can be understood in simple terms, and their existence enables us to distinguish contributions from different integrals. Our analysis suggests that maximal and near-maximal cuts can be used to infer the existence of integral identities more generally.
Cycle length maximization in PWRs using empirical core models
Okafor, K.C.; Aldemir, T.
1987-01-01
The problem of maximizing cycle length in nuclear reactors through optimal fuel and poison management has been addressed by many investigators. An often-used neutronic modeling technique is to find correlations between the state and control variables to describe the response of the core to changes in the control variables. In this study, a set of linear correlations, generated by two-dimensional diffusion-depletion calculations, is used to find the enrichment distribution that maximizes cycle length for the initial core of a pressurized water reactor (PWR). These correlations (a) incorporate the effect of composition changes in all the control zones on a given fuel assembly and (b) are valid for a given range of control variables. The advantage of using such correlations is that the cycle length maximization problem can be reduced to a linear programming problem.
The F-Theorem and F-Maximization
Pufu, Silviu S
2016-01-01
This contribution contains a review of the role of the three-sphere free energy F in recent developments related to the F-theorem and F-maximization. The F-theorem states that for any Lorentz-invariant RG trajectory connecting a conformal field theory CFT_UV in the ultraviolet to a conformal field theory CFT_IR, the F-coefficient decreases: F_UV > F_IR. I provide many examples of CFTs where one can compute F, approximately or exactly, and discuss various checks of the F-theorem. F-maximization is the principle that in an N=2 SCFT, viewed as the deep IR limit of an RG trajectory preserving N=2 supersymmetry, the superconformal R-symmetry maximizes F within the set of all R-symmetries preserved by the RG trajectory. I review the derivation of this result and provide examples.
Viscosity and density dependence during maximal flow in man.
Staats, B A; Wilson, T A; Lai-Fook, S J; Rodarte, J R; Hyatt, R E
1980-02-01
Maximal expiratory flow curves were obtained from ten healthy subjects white breathing air and three other gas mixtures with different densities and viscosities. From these data, the magnitudes of the dependence of maximal flow on gas density and viscosity were obtained. The scaling laws of fluid mechanics, together with a model for the flow-limiting mechanism, were used to obtain a prediction of the relationship between the density dependence and the viscosity dependence of maximal flow. Although the data for individual subjects were too variable to allow a precise comparison with this prediction, the relationship between the mean density dependence and the mean viscosity dependence of all usbjects agreed with the theoretic prediction. This agreement supports the assumption, which is frequently made, that flow resistance rather than tissue visoelasticity is the dominant contributor to peripheral resistance. Information on the relationships between the pressure drop to the flow-limiting segment and flow, gas density and viscosity, and lung volume were also obtained.
Maximal supports and Schur-positivity among connected skew shapes
McNamara, Peter R W
2011-01-01
The Schur-positivity order on skew shapes is defined by B \\leq A if the difference s_A - s_B is Schur-positive. It is an open problem to determine those connected skew shapes that are maximal with respect to this ordering. A strong sufficient condition for the Schur-positivity of s_A - s_B is that the support of B is contained in that of A, where the support of B is defined to be the set of partitions lambda for which s_lambda appears in the Schur expansion of s_B. We show that to determine the maximal connected skew shapes in the Schur-positivity order and this support containment order, it suffices to consider a special class of ribbon shapes. We explicitly determine the support for these ribbon shapes, thereby determining the maximal connected skew shapes in the support containment order.
Lin, Qisheng, E-mail: qslin@ameslab.gov [Division of Materials Sciences and Engineering, Ames Laboratory, US-DOE, Ames, IA 50011 (United States); Taufour, Valentin [Division of Materials Sciences and Engineering, Ames Laboratory, US-DOE, Ames, IA 50011 (United States); Department of Physics and Astronomy, Iowa State University, Ames, IA 50011 (United States); Zhang, Yuemei [Department of Chemistry, Iowa State University, Ames, IA 50011 (United States); Wood, Max; Drtina, Thomas; Bud’ko, Sergey L.; Canfield, Paul C. [Division of Materials Sciences and Engineering, Ames Laboratory, US-DOE, Ames, IA 50011 (United States); Department of Physics and Astronomy, Iowa State University, Ames, IA 50011 (United States); Miller, Gordon J. [Division of Materials Sciences and Engineering, Ames Laboratory, US-DOE, Ames, IA 50011 (United States); Department of Chemistry, Iowa State University, Ames, IA 50011 (United States)
2015-09-15
Single crystals of Nd{sub 4}FeOS{sub 6} were grown from an Fe–S eutectic solution. Single crystal X-ray diffraction analysis revealed a Nd{sub 4}MnOSe{sub 6}-type structure (P6{sub 3}mc, a=9.2693(1) Å, c=6.6650(1)Å, V=495.94(1) Å{sup 3}, Z=2), featuring parallel chains of face-sharing [FeS{sub 6×1/2}]{sup 4−} trigonal antiprisms and interlinked [Nd{sub 4}OS{sub 3}]{sup 4+} cubane-like clusters. Oxygen atoms were found to be trapped by Nd{sub 4} clusters in the [Nd{sub 4}OS{sub 3}]{sup 4{sub +}} chains. Structural differences among Nd{sub 4}MnOSe{sub 6}-type Nd{sub 4}FeOS{sub 6} and the related La{sub 3}CuSiS{sub 7}− and Pr{sub 8}CoGa{sub 3}-type structures have been described. Magnetic susceptibility measurements on Nd{sub 4}FeOS{sub 6} suggested the dominance of antiferromagnetic interactions at low temperature, but no magnetic ordering down to 2 K was observed. Spin-polarized electronic structure calculations revealed magnetic frustration with dominant antiferromagnetic interactions. - Graphical abstract: Trapping of oxygen in Nd{sub 4} tetrahedral clusters results in the formation of the Nd{sub 4}MnOSe{sub 6}-type Nd{sub 4}FeOS{sub 6}, in contrast to the La{sub 3}CuSiS{sub 7}-type oxygen-free Nd{sub 4}FeS{sub 7} and related Pr{sub 8}CoGa{sub 3}-type structures. Complex magnetic frustration inhibits magnetic ordering at low temperature. - Highlights: • Single crystals of Nd{sub 4}FeOS{sub 6} were grown using self-flux method. • Oxygen was found trapped by Nd{sub 4} tetrahedral clusters. • Comparison with two closely related structural types were discussed. • Magnetic measurements revealed antiferromagnetic (AFM) interaction. • VASP calculations confirmed strong magnetic frustration in AFM model.
Wendt, O F; Deeth, R J; Elding, L I
2000-11-13
The substitution kinetics of Me2PhP in cis-Pt(SiMePh2)2(PMe2Ph)2 (1) by the chelating ligand bis(diphenylphosphino)ethane has been followed at 25.0 degrees C in dichloromethane by stopped-flow spectrophotometry. Addition of the leaving ligand causes mass-law retardation compatible with a dissociative process via a three-coordinate transition state or intermediate. Exchange of Me2PhP in 1 has been studied by variable-temperature magnetization transfer 1H NMR in toluene-d8, giving kex326 = 1.76 +/- 0.12 s-1, delta H++ = 117.8 +/- 2.1 kJ mol-1, and delta S++ = 120 +/- 7 J K-1 mol-1. An exchange rate constant independent of the concentrations of free phosphine, a strongly positive delta S++, and nearly equal exchange and ligand dissociation rate constants also support a dissociative process. Density functional theory (DFT) calculations for a dissociative process give an estimate for the Pt-P bond energy of 98 kJ mol-1 for R = R' = Me, which is in reasonable agreement with the experimental activation energy given the differences between the substituents used in the calculation and those employed experimentally. DFT calculations on cis-Pt(PR3)2(SiR'3)2 (R = H, CH3; R' = H, CH3) are consistent with the experimental molecular structure and show that methyl substituents on the Si donors are sufficient to induce the observed tetrahedral twist. The optimized Si-Pt-Si angle in cis-Pt(SiH3)2(PH3)2 is not significantly altered by changing the P-Pt-P angle from its equilibrium value of 104 degrees to 80 degrees or 120 degrees. The origin of the tetrahedral twist is therefore not steric but electronic. The Si-Pt-Si angle is consistently less than 90 degrees, but the Si-Si distance is still too long to support an incipient reductive elimination reaction with its attendant Si-Si bonding interaction. Instead, it appears that four tertiary ligands introduce a steric strain which can be decreased by a twist of two of the ligands out of the plane; this twist is only possible when two
Cardiovascular consequences of bed rest: effect on maximal oxygen uptake
Convertino, V. A.
1997-01-01
Maximal oxygen uptake (VO2max) is reduced in healthy individuals confined to bed rest, suggesting it is independent of any disease state. The magnitude of reduction in VO2max is dependent on duration of bed rest and the initial level of aerobic fitness (VO2max), but it appears to be independent of age or gender. Bed rest induces an elevated maximal heart rate which, in turn, is associated with decreased cardiac vagal tone, increased sympathetic catecholamine secretion, and greater cardiac beta-receptor sensitivity. Despite the elevation in heart rate, VO2max is reduced primarily from decreased maximal stroke volume and cardiac output. An elevated ejection fraction during exercise following bed rest suggests that the lower stroke volume is not caused by ventricular dysfunction but is primarily the result of decreased venous return associated with lower circulating blood volume, reduced central venous pressure, and higher venous compliance in the lower extremities. VO2max, stroke volume, and cardiac output are further compromised by exercise in the upright posture. The contribution of hypovolemia to reduced cardiac output during exercise following bed rest is supported by the close relationship between the relative magnitude (% delta) and time course of change in blood volume and VO2max during bed rest, and also by the fact that retention of plasma volume is associated with maintenance of VO2max after bed rest. Arteriovenous oxygen difference during maximal exercise is not altered by bed rest, suggesting that peripheral mechanisms may not contribute significantly to the decreased VO2max. However reduction in baseline and maximal muscle blood flow, red blood cell volume, and capillarization in working muscles represent peripheral mechanisms that may contribute to limited oxygen delivery and, subsequently, lowered VO2max. Thus, alterations in cardiac and vascular functions induced by prolonged confinement to bed rest contribute to diminution of maximal oxygen uptake
Munch, G D W; Svendsen, J H; Damsgaard, R; Secher, N H; González-Alonso, J; Mortensen, S P
2014-01-15
In humans, maximal aerobic power (VO2 max ) is associated with a plateau in cardiac output (Q), but the mechanisms regulating the interplay between maximal heart rate (HRmax) and stroke volume (SV) are unclear. To evaluate the effect of tachycardia and elevations in HRmax on cardiovascular function and capacity during maximal exercise in healthy humans, 12 young male cyclists performed incremental cycling and one-legged knee-extensor exercise (KEE) to exhaustion with and without right atrial pacing to increase HR. During control cycling, Q and leg blood flow increased up to 85% of maximal workload (WLmax) and remained unchanged until exhaustion. SV initially increased, plateaued and then decreased before exhaustion (P rate pressure product and RAP (P heart can be paced to a higher HR than observed during maximal exercise, suggesting that HRmax and myocardial work capacity do not limit VO2 max in healthy individuals. A limited left ventricular filling and possibly altered contractility reduce SV during atrial pacing, whereas a plateau in LVFP appears to restrict Q close to VO2 max .
Kakeya sets and directional maximal operators in the plane
Bateman, Michael
2009-01-01
We completely characterize the boundedness of planar directional maximal operators on $L^p$ . More precisely, if $\\Omega$ is a set of directions, we show that $M_{\\Omega}$ , the maximal operator associated to line segments in the directions $\\Omega$ , is unbounded on $L^p$ for all $p \\lt \\infty$ precisely when $\\Omega$ admits Kakeya-type sets. In fact, we show that if $\\Omega$ does not admit Kakeya sets, then $\\Omega$ is a generalized lacunary set, and hence, $M_{\\Omega}$ is bounded on $L^p$ ...
Maximal slicings in spherical symmetry: local existence and construction
Cordero-Carrión, Isabel; Morales-Lladosa, Juan Antonio; 10.1063/1.3658864
2011-01-01
We show that any spherically symmetric spacetime locally admits a maximal spacelike slicing and we give a procedure allowing its construction. The construction procedure that we have designed is based on purely geometrical arguments and, in practice, leads to solve a decoupled system of first order quasi-linear partial differential equations. We have explicitly built up maximal foliations in Minkowski and Friedmann spacetimes. Our approach admits further generalizations and efficient computational implementation. As by product, we suggest some applications of our work in the task of calibrating Numerical Relativity complex codes, usually written in Cartesian coordinates.
How High Might the Revenue-maximizing Tax Rate Be?
Usher, Dan
2014-01-01
Through tax evasion, through the labour-leisure choice or in other ways, taxpayers reduce the tax base in response to an increase in the tax rate. The process is commonly-believed to generate a humped Laffer curve with a revenue-maximizing tax rate well short of 100%. That need not be so. In the â€œnew tax responsiveness literatureâ€ , the revenue-maximizing tax rate is inferred from the observed â€œelasticity of taxable incomeâ€ . It is shown in this article 1) that the inference is unwarran...
Maximizing opto‐mechanical interaction using topology optimization
Gersborg, Allan Roulund; Sigmund, Ole
2011-01-01
This paper studies topology optimization of a coupled opto‐mechanical problem with the goal of finding the material layout which maximizes the optical modulation, i.e. the difference between the optical response for the mechanically deformed and undeformed configuration. The optimization is perfo......This paper studies topology optimization of a coupled opto‐mechanical problem with the goal of finding the material layout which maximizes the optical modulation, i.e. the difference between the optical response for the mechanically deformed and undeformed configuration. The optimization...
Constraining Torsion in Maximally symmetric (sub)spaces
Sur, Sourav
2013-01-01
We look into the general aspects of space-time symmetries in presence of torsion, and how the latter is affected by such symmetries. Focusing in particular to space-times which either exhibit maximal symmetry on their own, or could be decomposed to maximally symmetric subspaces, we work out the constraints on torsion in two different theoretical schemes. We show that at least for a completely antisymmetric torsion tensor (for e.g. the one motivated from string theory), an equivalence is set between these two schemes, as the non-vanishing independent torsion tensor components turn out to be the same.
Adaptive maximal poisson-disk sampling on surfaces
Yan, Dongming
2012-01-01
In this paper, we study the generation of maximal Poisson-disk sets with varying radii on surfaces. Based on the concepts of power diagram and regular triangulation, we present a geometric analysis of gaps in such disk sets on surfaces, which is the key ingredient of the adaptive maximal Poisson-disk sampling framework. Moreover, we adapt the presented sampling framework for remeshing applications. Several novel and efficient operators are developed for improving the sampling/meshing quality over the state-of-theart. © 2012 ACM.
Gap processing for adaptive maximal Poisson-disk sampling
Yan, Dongming
2013-09-01
In this article, we study the generation of maximal Poisson-disk sets with varying radii. First, we present a geometric analysis of gaps in such disk sets. This analysis is the basis for maximal and adaptive sampling in Euclidean space and on manifolds. Second, we propose efficient algorithms and data structures to detect gaps and update gaps when disks are inserted, deleted, moved, or when their radii are changed.We build on the concepts of regular triangulations and the power diagram. Third, we show how our analysis contributes to the state-of-the-art in surface remeshing. © 2013 ACM.
Approximation algorithms for indefinite complex quadratic maximization problems
无
2010-01-01
In this paper,we consider the following indefinite complex quadratic maximization problem: maximize zHQz,subject to zk ∈ C and zkm = 1,k = 1,...,n,where Q is a Hermitian matrix with trQ = 0,z ∈ Cn is the decision vector,and m 3.An (1/log n) approximation algorithm is presented for such problem.Furthermore,we consider the above problem where the objective matrix Q is in bilinear form,in which case a 0.7118 cos mπ 2approximation algorithm can be constructed.In the context of quadratic optimization,various extensions and connections of the model are discussed.
Anatomy of maximal stop mixing in the MSSM
Bruemmer, Felix [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Kraml, Sabine; Kulkarni, Suchita [CNRS/IN2P3, INPG, Grenoble (France). Laboratoire de Physique Subatomique et de Cosmologie
2012-05-15
A Standard Model-like Higgs near 125 GeV in the MSSM requires multi-TeV stop masses, or a near-maximal contribution to its mass from stop mixing. We investigate the maximal mixing scenario, and in particular its prospects for being realized it in potentially realistic GUT models. We work out constraints on the possible GUT-scale soft terms, which we compare with what can be obtained from some well-known mechanisms of SUSY breaking mediation. Finally, we analyze two promising scenarios in detail, namely gaugino mediation and gravity mediation with non-universal Higgs masses.
Greedy SINR Maximization in Collaborative Multibase Wireless Systems
Popescu Otilia
2004-01-01
Full Text Available We present a codeword adaptation algorithm for collaborative multibase wireless systems. The system is modeled with multiple inputs and multiple outputs (MIMO in which information is transmitted using multicode CDMA, and codewords are adapted based on greedy maximization of the signal-to-interference-plus-noise ratio. The procedure monotonically increases the sum capacity and, when repeated iteratively for all codewords in the system, converges to a fixed point. Fixed-point properties and a connection with sum capacity maximization, along with a discussion of simulations that corroborate the basic analytic results, are included in the paper.
Weighted Inequalities for the Generalized Maximal Operator in Martingale Spaces
Wei CHEN; Peide LIU
2011-01-01
The generalized maximal operator M in martingale spaces is considered.For 1 ＜ p ≤ q ＜ ∞,the authors give a necessary and sufficient condition on the pair (（μ),v)for M to be a bounded operator from martingale space LP(v) into Lq(（μ）) or weak-Lq(（μ）),where （μ） is a measure on Ω× N and v a weight on Ω.Moreover,the similar inequalities for usual maximal operator are discussed.
Simulating Entangling Unitary Operator Using Non-maximally Entangled States
LI Chun-Xian; WANG Cheng-Zhi; NIE Liu-Ying; LI Jiang-Fan
2009-01-01
We use non-maximally entangled states (NMESs) to simulate an entangling unitary operator (EUO) w/th a certain probability. Given entanglement resources, the probability of the success we achieve is a decreasing function of the parameters of the EUO. Given an EUO, for certain entanglement resources the result is optimal, i.e., the probability obtains a maximal value, and for optimal result higher parameters of the EUO match more amount of entanglement resources. The probability of the success we achieve is higher than the known results under some condition.
Has the Brain Maximized its Information Storage Capacity?
Stepanyants, A L
2003-01-01
Learning and memory may rely on the ability of neuronal circuits to reorganize by dendritic spine remodeling. We have looked for geometrical parameters of cortical circuits, which maximize information storage capacity associated with this mechanism. In particular, we calculated optimal volume fractions of various neuropil components. The optimal axonal and dendritic volume fractions are not significantly different from anatomical measurements in the mouse and rat neocortex, and the rat hippocampus. This has led us to propose that the maximization of information storage capacity associated with dendritic spine remodeling may have been an important driving force in the evolution of the cortex.
Maximal expiratory flow volume curve in quarry workers.
Subhashini, Arcot Sadagopa; Satchidhanandam, Natesa
2002-01-01
Maximal Expiratory Flow Volume (MEFV) curves were recorded with a computerized Spirometer (Med Spiror). Forced Vital Capacity (FVC), Forced Expiratory Volumes (FEV), mean and maximal flow rates were obtained in 25 quarry workers who were free from respiratory disorders and 20 healthy control subjects. All the functional values are lower in quarry workers than in the control subject, the largest reduction in quarry workers with a work duration of over 15 years, especially for FEF75. The effects are probably due to smoking rather than dust exposure.