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Sample records for discrete binuclear units

  1. Visible Light Absorption of Binuclear TiOCoII Charge-Transfer UnitAssembled in Mesoporous Silica

    Han, Hongxian; Frei, Heinz

    2007-01-30

    Grafting of CoII(NCCH3)2Cl2 onto mesoporous Ti-MCM-41 silicain acetonitrile solution affords binuclear Ti-O-CoII sites on the poresurface under complete replacement of the precursor ligands byinteractions with anchored Ti centers and the silica surface. The CoIIligand field spectrum signals that the Co centers are anchored on thepore surface in tetrahedral coordination. FT-infrared action spectroscopyusing ammonia gas adsorption reveals Co-O-Si bond modes at 831 and 762cm-1. No Co oxide clusters are observed in the as-synthesized material.The bimetallic moieties feature an absorption extending from the UV intothe visible to about 600 nm which is attributed to the TiIV-O-CoII?3TiIII-O-CoIII metal-to-metal charge-transfer (MMCT) transition. Thechromophore is absent in MCM-41 containing Ti and Co centers isolatedfrom each other; this material was synthesized by grafting CoII onto aTi-MCM-41 sample with the Ti centers protected by a cyclopentadienylligand. The result indicates that the appearance of the charge-transferabsorption requires that the metal centers are linked by an oxo bridge,which is additionally supported by XANES spectroscopy. The MMCTchromophore of Ti-O-CoII units has sufficient oxidation power to serve asvisible light electron pump for driving multi-electron transfer catalystsof demanding uphill reactions such as water oxidation.

  2. Discrete Events as Units of Perceived Time

    Liverence, Brandon M.; Scholl, Brian J.

    2012-01-01

    In visual images, we perceive both space (as a continuous visual medium) and objects (that inhabit space). Similarly, in dynamic visual experience, we perceive both continuous time and discrete events. What is the relationship between these units of experience? The most intuitive answer may be similar to the spatial case: time is perceived as an…

  3. Discrete Event Simulation of Patient Admissions to a Neurovascular Unit

    S. Hahn-Goldberg

    2014-01-01

    Full Text Available Evidence exists that clinical outcomes improve for stroke patients admitted to specialized Stroke Units. The Toronto Western Hospital created a Neurovascular Unit (NVU using beds from general internal medicine, Neurology and Neurosurgery to care for patients with stroke and acute neurovascular conditions. Using patient-level data for NVU-eligible patients, a discrete event simulation was created to study changes in patient flow and length of stay pre- and post-NVU implementation. Varying patient volumes and resources were tested to determine the ideal number of beds under various conditions. In the first year of operation, the NVU admitted 507 patients, over 66% of NVU-eligible patient volumes. With the introduction of the NVU, length of stay decreased by around 8%. Scenario testing showed that the current level of 20 beds is sufficient for accommodating the current demand and would continue to be sufficient with an increase in demand of up to 20%.

  4. Ising Processing Units: Potential and Challenges for Discrete Optimization

    Coffrin, Carleton James [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Nagarajan, Harsha [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Bent, Russell Whitford [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2017-07-05

    The recent emergence of novel computational devices, such as adiabatic quantum computers, CMOS annealers, and optical parametric oscillators, presents new opportunities for hybrid-optimization algorithms that leverage these kinds of specialized hardware. In this work, we propose the idea of an Ising processing unit as a computational abstraction for these emerging tools. Challenges involved in using and bench- marking these devices are presented, and open-source software tools are proposed to address some of these challenges. The proposed benchmarking tools and methodology are demonstrated by conducting a baseline study of established solution methods to a D-Wave 2X adiabatic quantum computer, one example of a commercially available Ising processing unit.

  5. Magnetic, catalytic, EPR and electrochemical studies on binuclear ...

    Magnetic, catalytic, EPR and electrochemical studies on binuclear copper(II) complexes ... to the oxidation of 3,5-di--butylcatechol to the corresponding quinone. ... EPR spectral studies in methanol solvent show welldefined four hyperfine ...

  6. Magnetic, catalytic, EPR and electrochemical studies on binuclear ...

    Unknown

    binuclear copper(II) complexes derived from 3,4-disubstituted phenol ... M. Avanta G.B.C., Australia atomic absorption spectrophotometer. .... hydroxide. ... in OH bridged complexes may give rise to poor ligand–metal orbital overlap. The.

  7. Application of enhanced discrete differential evolution approach to unit commitment problem

    Yuan Xiaohui; Su Anjun; Nie Hao; Yuan Yanbin; Wang Liang

    2009-01-01

    This paper proposes a discrete binary differential evolution (DBDE) approach to solve the unit commitment problem (UCP). The proposed method is enhanced by priority list based on the unit characteristics and heuristic search strategies to handle constraints effectively. The implementation of the proposed method for UCP consists of three stages. Firstly, the DBDE based on priority list is applied for unit scheduling when neglecting the minimum up/down time constraints. Secondly, repairing strategies are used to handle the minimum up/down time constraints and decommit excess spinning reserve units. Finally, heuristic unit substitution search and gray zone modification algorithm are used to improve optimal solution further. Furthermore, the effects of two crucial parameters on performance of the DBDE for solving UCP are studied as well. To verify the advantages of the method, the proposed method is tested and compared to the other methods on the systems with the number of units in the range of 10-100. Numerical results demonstrate that the proposed method is superior to other methods reported in the literature.

  8. Discrete-Event Execution Alternatives on General Purpose Graphical Processing Units

    Perumalla, Kalyan S.

    2006-01-01

    Graphics cards, traditionally designed as accelerators for computer graphics, have evolved to support more general-purpose computation. General Purpose Graphical Processing Units (GPGPUs) are now being used as highly efficient, cost-effective platforms for executing certain simulation applications. While most of these applications belong to the category of time-stepped simulations, little is known about the applicability of GPGPUs to discrete event simulation (DES). Here, we identify some of the issues and challenges that the GPGPU stream-based interface raises for DES, and present some possible approaches to moving DES to GPGPUs. Initial performance results on simulation of a diffusion process show that DES-style execution on GPGPU runs faster than DES on CPU and also significantly faster than time-stepped simulations on either CPU or GPGPU.

  9. Combining Latin Hypercube Designs and Discrete Event Simulation in a Study of a Surgical Unit

    Dehlendorff, Christian; Andersen, Klaus Kaae; Kulahci, Murat

    Summary form given only:In this article experiments on a discrete event simulation model for an orthopedic surgery are considered. The model is developed as part of a larger project in co-operation with Copenhagen University Hospital in Gentofte. Experiments on the model are performed by using...... Latin hypercube designs. The parameter set consists of system settings such as use of preparation room for sedation and the number of operating rooms, as well as management decisions such as staffing, size of the recovery room and the number of simultaneously active operating rooms. Sensitivity analysis...... and optimization combined with meta-modeling are employed in search for optimal setups. The primary objective in this article is to minimize time spent by the patients in the system. The overall long-term objective for the orthopedic surgery unit is to minimize time lost during the pre- and post operation...

  10. Synthesis and characterization of a new complex binuclear of binuclear of Pd(II) containing the antibiotic oxy tetracycline

    Guerra, Wendell; Fontes, Ana Paula Soares; Pereira-Maia, Elene Cristina

    2010-01-01

    This article reports the synthesis and characterization of a new binuclear complex of palladium (II) containing the antibiotic oxytetracycline. The complex was characterized by the usual techniques of analysis. With respect to sites of coordination, the IR spectral data suggests the involvement the oxygen of the amide group and the oxygen of the neighbor hydroxyl group at ring A and to the carbonyl oxygen at C11 and the hydroxyl group at C12. (author)

  11. MAGNETIC INVESTIGATION OF AN UNUSUAL DISSYMMETRIC BINUCLEAR MANGANESE CARBOXYLATE COMPLEX

    Ghenadie Novitchi

    2006-06-01

    Full Text Available The magnetic susceptibility (χT of an unusual dissymmetric binuclear manganese corboxylate complex has been measured from 2 to 300K. The magnetic data which have been fitted with help of the Heisenberg Dirac Van Vleck HDVV spin-exchange Hamiltonian H = − J S 1 S 2 , indicate that an antiferromagnetic interaction equal to J = -0.90(1 cm-1 is present. A correlation between J values and Mn-H2O-Mn angles has been tempted.

  12. Formation of reactive oxygen by N2O decomposition over binuclear cationic sites of Fe-ferrierite zeolite: Periodic DFT + U study

    Avdeev, Vasilii I.; Bedilo, Alexander F.

    2018-03-01

    The electronic nature of sites over Fe-ferrierite zeolite stabilizing active α-oxygen is analyzed by the periodic DFT + U approach. It is shown that two antiferromagnetically coupled Fe2+ cations with bridging OH-bonds form a stable bi-nuclear site of the [Fe2+Fe2+] doped FER complex. Frontier orbitals of this complex populated by two electrons with minority spins are localized in the bandgap. As a result, [Fe2+Fe2+] unit acquires the properties of a binuclear Lewis acid dipolarophile for 1,3-dipole N2O. First reaction step of N2O decomposition follows the Huisgen‧s concept of the 1,3-dipolar cycloaddition concept followed by the formation of reactive oxygen species Fesbnd O.

  13. Discrete Optimization of Internal Part Structure via SLM Unit Structure-Performance Database

    Li Tang

    2018-01-01

    Full Text Available The structural optimization of the internal structure of parts based on three-dimensional (3D printing has been recognized as being important in the field of mechanical design. The purpose of this paper is to present a creation of a unit structure-performance database based on the selective laser melting (SLM, which contains various structural units with different functions and records their structure and performance characteristics so that we can optimize the internal structure of parts directly, according to the database. The method of creating the unit structure-performance database was introduced in this paper and several structural units of the unit structure-performance database were introduced. The bow structure unit was used to show how to create the structure-performance database of the unit as an example. Some samples of the bow structure unit were designed and manufactured by SLM. These samples were tested in the WDW-100 compression testing machine to obtain their performance characteristics. After this, the paper collected all data regarding unit structure parameters, weight, performance characteristics, and other data; and, established a complete set of data from the bow structure unit for the unit structure-performance database. Furthermore, an aircraft part was reconstructed conveniently to be more lightweight according to the unit structure-performance database. Its weight was reduced by 36.8% when compared with the original structure, while the strength far exceeded the requirements.

  14. Structure and Bonding in Binuclear Metal Carbonyls. Classical Paradigms vs. Insights from Modern Theoretical Calculations

    Ponec, Robert

    2015-01-01

    Roč. 1053, SI (2015), s. 195-213 ISSN 2210-271X Institutional support: RVO:67985858 Keywords : binuclear metal carbonyls * DAFH analysis * 18-electron rule Subject RIV: CC - Organic Chemistry Impact factor: 1.403, year: 2015

  15. Pattern recognition in cyclic and discrete skills performance from inertial measurement units

    Seifert, Ludovic; L'Hermette, Maxime; Komar, John; Orth, Dominic; Mell, Florian; Merriaux, Pierre; Grenet, Pierre; Caritu, Yanis; Hérault, Romain; Dovgalecs, Vladislavs; Davids, Keith

    2014-01-01

    The aim of this study is to compare and validate an Inertial Measurement Unit (IMU) relative to an optic system, and to propose methods for pattern recognition to capture behavioural dynamics during sport performance. IMU validation was conducted by comparing the motions of the two arms of a

  16. Synthesis and Crystal Structure of Binuclear and Pentanuclear Nickel(II Complexes Containing 4-(salicylaldiminatoantipyrine Schiff base

    Mohamed N. EL-Kaheli

    2015-11-01

    Full Text Available The new title binuclear Ni (II compound  (1 and the novel pentanuclear Ni (II cluster {[   } (2 are formed from the reaction of an asymmetric Schiff base ligand L (L = 4-(salicylaldiminatoantipyrine with Ni .4  in the former or Ni(ClO42.6H2O in presence of malonate in the later.  Complex (1 consists of ( ]+ cation and one uncoordinated tetraphenylborate anion.  The cation adopts a distorted octahedral arrangement around each metal center.  In the binuclear unit both Ni(II ions are linked through two phenolate (µ2-O oxygen atoms of L, and two oxygen atoms of a  bridging carboxylate group. Each Ni (II coordinates to four oxygen atoms at the basal plane, two oxygen atoms from two bridging phenolate groups, one from pyrazolone ring and the last of an aqua molecule, and at the axial positions to a bridging carboxylate-O atom and an azomethine nitrogen atom.  In the pentanuclear cluster (2 consisting of [ ]+2 cation and two tetraphenylborate anions, the core of the cation is assembled by four [Ni( ] units, linked to the central Ni-ion by two bridging water molecules. The resulting coordination sphere for the external symmetry related nickel ions is a pseudo octahedron.  The central Ni-atom unusually adopts dodecahedron geometry through its coordination to eight bridging water molecules. In complex (1 each Ni-atom is coordinated to one tridentate L ligand and in complex (2 each [Ni ( ] unit is coordinated to two bidentate L ligands.  Inter-and intramolecular hydrogen bonds are present in both crystal structures.

  17. Electronic structure of binuclear acetylacetonates of boron difluoride

    Tikhonov, Sergey A.; Svistunova, Irina V.; Samoilov, Ilya S.; Osmushko, Ivan S.; Borisenko, Aleksandr V.; Vovna, Vitaliy I.

    2018-05-01

    The electronic structure of boron difluoride acetylacetonate and its three derivatives was studied using photoelectron and absorption spectroscopy, as well as the density functional theory. In a series of binuclear acetylacetonate complexes containing bridge-moieties of sulfur and selenium atoms, it was found an appreciable mixing of the π3-orbital of the chelate cycle with atomic orbitals S 3p and Se 4p resulting in destabilization of the HOMO levels by 0.4-0.6 eV, in comparison with the monomer. The positively charged fragment C(CH3)-CX-C(CH3) causes the field effect, which leads to stabilization of the LUMO levels by 0.3-0.4 eV and C 1s-levels by 0.5-1.2 eV. An analysis of the research results on the electronic structure made it possible to determine the effect of substituents in the γ position on the absorption spectra, which is mainly determined by the electron density transfer from the chalcogen atoms to the chelate cycles. It is shown that the calculated energy intervals between electron levels correlate well with the structure of the photoelectron spectra of valence and core electrons.

  18. Parallel Implementation of the Discrete Green's Function Formulation of the FDTD Method on a Multicore Central Processing Unit

    T. Stefański

    2014-12-01

    Full Text Available Parallel implementation of the discrete Green's function formulation of the finite-difference time-domain (DGF-FDTD method was developed on a multicore central processing unit. DGF-FDTD avoids computations of the electromagnetic field in free-space cells and does not require domain termination by absorbing boundary conditions. Computed DGF-FDTD solutions are compatible with the FDTD grid enabling the perfect hybridization of FDTD with the use of time-domain integral equation methods. The developed implementation can be applied to simulations of antenna characteristics. For the sake of example, arrays of Yagi-Uda antennas were simulated with the use of parallel DGF-FDTD. The efficiency of parallel computations was investigated as a function of the number of current elements in the FDTD grid. Although the developed method does not apply the fast Fourier transform for convolution computations, advantages stemming from the application of DGF-FDTD instead of FDTD can be demonstrated for one-dimensional wire antennas when simulation results are post-processed by the near-to-far-field transformation.

  19. Physician discretion is safe and may lower stress test utilization in emergency department chest pain unit patients.

    Napoli, Anthony M; Arrighi, James A; Siket, Matthew S; Gibbs, Frantz J

    2012-03-01

    Chest pain unit (CPU) observation with defined stress utilization protocols is a common management option for low-risk emergency department patients. We sought to evaluate the safety of a joint emergency medicine and cardiology staffed CPU. Prospective observational trial of consecutive patients admitted to an emergency department CPU was conducted. A standard 6-hour observation protocol was followed by cardiology consultation and stress utilization largely at their discretion. Included patients were at low/intermediate risk by the American Heart Association, had nondiagnostic electrocardiograms, and a normal initial troponin. Excluded patients were those with an acute comorbidity, age >75, and a history of coronary artery disease, or had a coexistent problem restricting 24-hour observation. Primary outcome was 30-day major adverse cardiovascular events-defined as death, nonfatal acute myocardial infarction, revascularization, or out-of-hospital cardiac arrest. A total of 1063 patients were enrolled over 8 months. The mean age of the patients was 52.8 ± 11.8 years, and 51% (95% confidence interval [CI], 48-54) were female. The mean thrombolysis in myocardial infarction and Diamond & Forrester scores were 0.6% (95% CI, 0.51-0.62) and 33% (95% CI, 31-35), respectively. In all, 51% (95% CI, 48-54) received stress testing (52% nuclear stress, 39% stress echocardiogram, 5% exercise, 4% other). In all, 0.9% patients (n = 10, 95% CI, 0.4-1.5) were diagnosed with a non-ST elevation myocardial infarction and 2.2% (n = 23, 95% CI, 1.3-3) with acute coronary syndrome. There was 1 (95% CI, 0%-0.3%) case of a 30-day major adverse cardiovascular events. The 51% stress test utilization rate was less than the range reported in previous CPU studies (P < 0.05). Joint emergency medicine and cardiology management of patients within a CPU protocol is safe, efficacious, and may safely reduce stress testing rates.

  20. Discrete typing units of Trypanosoma cruzi detected by real-time PCR in Chilean patients with chronic Chagas cardiomyopathy.

    Muñoz-San Martín, Catalina; Zulantay, Inés; Saavedra, Miguel; Fuentealba, Cristián; Muñoz, Gabriela; Apt, Werner

    2018-05-07

    Chagas disease is a major public health problem in Latin America and has spread to other countries due to immigration of infected persons. 10-30% of patients with chronic Chagas disease will develop cardiomyopathy. Chagas cardiomyopathy is the worst form of the disease, due to its high morbidity and mortality. Because of its prognostic value and adequate medical monitoring, it is very important to identify infected people who could develop Chagas cardiomyopathy. The aim of this study was to determine if discrete typing units (DTUs) of Trypanosoma cruzi are related to the presence of heart disease in patients with chronic Chagas disease. A total of 86 untreated patients, 41 with cardiomyopathy and 45 without heart involvement were submitted to clinical study. Electrocardiograms and echocardiograms were performed on the group of cardiopaths, in which all important known causes of cardiomyopathy were discarded. Sinus bradycardia and prolonged QTc interval were the most frequent electrocardiographic alterations and patients were classified in group I (46%) and group II (54%) of New York Hearth Association. In all cases real-time PCR genotyping assays were performed. In the group with cardiomyopathy, the most frequent DTU was TcI (56.1%), followed by TcII (19.5%). Mixed infections TcI + TcII were observed in 7.3% of the patients. In the group without cardiac pathologies, TcI and TcII were found at similar rates (28.9 and 31.1%, respectively) and mixed infections TcI + TcII in 17.8% of the cases. TcIII and TcIV were not detected in any sample. Taken together, our data indicate that chronic Chagas cardiomyopathy in Chile can be caused by strains belonging to TcI and TcII. Copyright © 2018 Elsevier B.V. All rights reserved.

  1. Assembly of highly repetitive genomes using short reads: the genome of discrete typing unit III Trypanosoma cruzi strain 231.

    Baptista, Rodrigo P; Reis-Cunha, Joao Luis; DeBarry, Jeremy D; Chiari, Egler; Kissinger, Jessica C; Bartholomeu, Daniella C; Macedo, Andrea M

    2018-02-14

    Next-generation sequencing (NGS) methods are low-cost high-throughput technologies that produce thousands to millions of sequence reads. Despite the high number of raw sequence reads, their short length, relative to Sanger, PacBio or Nanopore reads, complicates the assembly of genomic repeats. Many genome tools are available, but the assembly of highly repetitive genome sequences using only NGS short reads remains challenging. Genome assembly of organisms responsible for important neglected diseases such as Trypanosoma cruzi, the aetiological agent of Chagas disease, is known to be challenging because of their repetitive nature. Only three of six recognized discrete typing units (DTUs) of the parasite have their draft genomes published and therefore genome evolution analyses in the taxon are limited. In this study, we developed a computational workflow to assemble highly repetitive genomes via a combination of de novo and reference-based assembly strategies to better overcome the intrinsic limitations of each, based on Illumina reads. The highly repetitive genome of the human-infecting parasite T. cruzi 231 strain was used as a test subject. The combined-assembly approach shown in this study benefits from the reference-based assembly ability to resolve highly repetitive sequences and from the de novo capacity to assemble genome-specific regions, improving the quality of the assembly. The acceptable confidence obtained by analyzing our results showed that our combined approach is an attractive option to assemble highly repetitive genomes with NGS short reads. Phylogenomic analysis including the 231 strain, the first representative of DTU III whose genome was sequenced, was also performed and provides new insights into T. cruzi genome evolution.

  2. DFT calculations on N2O decomposition by binuclear Fe complexes in Fe/ZSM-5

    Yakovlev, A.L.; Zhidomirov, G.M.; Santen, van R.A.

    2001-01-01

    N2O decomposition catalyzed by oxidized Fe clusters localized in the micropores of Fe/ZSM-5 has been studied using the DFT approach and a binuclear cluster model of the active site. Three different reaction routes were found, depending on temperature and water pressure. The results show that below

  3. Discrete Mathematics

    Sørensen, John Aasted

    2011-01-01

    The objectives of Discrete Mathematics (IDISM2) are: The introduction of the mathematics needed for analysis, design and verification of discrete systems, including the application within programming languages for computer systems. Having passed the IDISM2 course, the student will be able...... to accomplish the following: -Understand and apply formal representations in discrete mathematics. -Understand and apply formal representations in problems within discrete mathematics. -Understand methods for solving problems in discrete mathematics. -Apply methods for solving problems in discrete mathematics......; construct a finite state machine for a given application. Apply these concepts to new problems. The teaching in Discrete Mathematics is a combination of sessions with lectures and students solving problems, either manually or by using Matlab. Furthermore a selection of projects must be solved and handed...

  4. Reconstitution of active mycobacterial binuclear iron monooxygenase complex in Escherichia coli.

    Furuya, Toshiki; Hayashi, Mika; Kino, Kuniki

    2013-10-01

    Bacterial binuclear iron monooxygenases play numerous physiological roles in oxidative metabolism. Monooxygenases of this type found in actinomycetes also catalyze various useful reactions and have attracted much attention as oxidation biocatalysts. However, difficulties in expressing these multicomponent monooxygenases in heterologous hosts, particularly in Escherichia coli, have hampered the development of engineered oxidation biocatalysts. Here, we describe a strategy to functionally express the mycobacterial binuclear iron monooxygenase MimABCD in Escherichia coli. Sodium dodecyl sulfate-polyacrylamide gel electrophoretic analysis of the mimABCD gene expression in E. coli revealed that the oxygenase components MimA and MimC were insoluble. Furthermore, although the reductase MimB was expressed at a low level in the soluble fraction of E. coli cells, a band corresponding to the coupling protein MimD was not evident. This situation rendered the transformed E. coli cells inactive. We found that the following factors are important for functional expression of MimABCD in E. coli: coexpression of the specific chaperonin MimG, which caused MimA and MimC to be soluble in E. coli cells, and the optimization of the mimD nucleotide sequence, which led to efficient expression of this gene product. These two remedies enabled this multicomponent monooxygenase to be actively expressed in E. coli. The strategy described here should be generally applicable to the E. coli expression of other actinomycetous binuclear iron monooxygenases and related enzymes and will accelerate the development of engineered oxidation biocatalysts for industrial processes.

  5. White OLED using {beta}-diketones rare earth binuclear complex as emitting layer

    Quirino, W.G. [LOEM, Departamento de Fisica, Pontificia Universidade Catolica do Rio de Janeiro, PUC-Rio, P.O.Box 38071, Rio de Janeiro, RJ, CEP 22453-970 (Brazil); Legnani, C. [LOEM, Departamento de Fisica, Pontificia Universidade Catolica do Rio de Janeiro, PUC-Rio, P.O.Box 38071, Rio de Janeiro, RJ, CEP 22453-970 (Brazil); Cremona, M. [LOEM, Departamento de Fisica, Pontificia Universidade Catolica do Rio de Janeiro, PUC-Rio, P.O.Box 38071, Rio de Janeiro, RJ, CEP 22453-970 (Brazil)]. E-mail: cremona@fis.puc-rio.br; Lima, P.P. [Departamento de Quimica Fundamental, Universidade Federal de Pernambuco, UFPE-CCEN, Recife, PE, 50670-901 (Brazil); Junior, S.A. [Departamento de Quimica Fundamental, Universidade Federal de Pernambuco, UFPE-CCEN, Recife, PE, 50670-901 (Brazil); Malta, O.L. [Departamento de Quimica Fundamental, Universidade Federal de Pernambuco, UFPE-CCEN, Recife, PE, 50670-901 (Brazil)

    2006-01-03

    In this work, the fabrication and the characterization of a white triple-layer OLED using a {beta}-diketones binuclear complex [Eu(btfa){sub 3}phenterpyTb(acac){sub 3}] as the emitting layer is reported. The devices were assembled using a heterojunction between three organic molecular materials: the N,N'-bis(naphthalen-1-yl)-N,N'-bis(phenyl)benzidine (NPB) as hole-transporting layer, the {beta}-diketones binuclear complex and the tris(8-hydroxyquinoline aluminum) (Alq{sub 3}) as the electron transporting layer. All the organic layers were sequentially deposited under high vacuum environment by thermal evaporation onto ITO substrates and without breaking vacuum. Continuous electroluminescence emission was obtained varying the applied bias voltage from 10 to 22 V showing a wide emission band from 400 to 700 nm with about 100 cd/m{sup 2} of luminance. The white emission results from a combined action between the binuclear complex, acting as hole blocking and emitting layer, blue from NPB and the typical Alq{sub 3} green emission. The intensity ratio of the peaks is determined by the layer thickness and by the bias voltage applied to the OLED, allowing us to obtain a color tunable light source.

  6. White OLED using β-diketones rare earth binuclear complex as emitting layer

    Quirino, W.G.; Legnani, C.; Cremona, M.; Lima, P.P.; Junior, S.A.; Malta, O.L.

    2006-01-01

    In this work, the fabrication and the characterization of a white triple-layer OLED using a β-diketones binuclear complex [Eu(btfa) 3 phenterpyTb(acac) 3 ] as the emitting layer is reported. The devices were assembled using a heterojunction between three organic molecular materials: the N,N'-bis(naphthalen-1-yl)-N,N'-bis(phenyl)benzidine (NPB) as hole-transporting layer, the β-diketones binuclear complex and the tris(8-hydroxyquinoline aluminum) (Alq 3 ) as the electron transporting layer. All the organic layers were sequentially deposited under high vacuum environment by thermal evaporation onto ITO substrates and without breaking vacuum. Continuous electroluminescence emission was obtained varying the applied bias voltage from 10 to 22 V showing a wide emission band from 400 to 700 nm with about 100 cd/m 2 of luminance. The white emission results from a combined action between the binuclear complex, acting as hole blocking and emitting layer, blue from NPB and the typical Alq 3 green emission. The intensity ratio of the peaks is determined by the layer thickness and by the bias voltage applied to the OLED, allowing us to obtain a color tunable light source

  7. Optimizing the Relaxivity of MRI Probes at High Magnetic Field Strengths With Binuclear GdIII Complexes

    Loredana Leone

    2018-05-01

    Full Text Available The key criteria to optimize the relaxivity of a Gd(III contrast agent at high fields (defined as the region ≥ 1.5 T can be summarized as follows: (i the occurrence of a rotational correlation time τR in the range of ca. 0.2–0.5 ns; (ii the rate of water exchange is not critical, but a τM < 100 ns is preferred; (iii a relevant contribution from water molecules in the second sphere of hydration. In addition, the use of macrocycle-based systems ensures the formation of thermodynamically and kinetically stable Gd(III complexes. Binuclear Gd(III complexes could potentially meet these requirements. Their efficiency depends primarily on the degree of flexibility of the linker connecting the two monomeric units, the absence of local motions and the presence of contribution from the second sphere water molecules. With the aim to maximize relaxivity (per Gd over a wide range of magnetic field strengths, two binuclear Gd(III chelates derived from the well-known macrocyclic systems DOTA-monopropionamide and HPDO3A (Gd2L1 and Gd2L2, respectively were synthesized through a multistep synthesis. Chemical Exchange Saturation Transfer (CEST experiments carried out on Eu2L2 at different pH showed the occurrence of a CEST effect at acidic pH that disappears at neutral pH, associated with the deprotonation of the hydroxyl groups. Then, a complete 1H and 17O NMR relaxometric study was carried out in order to evaluate the parameters that govern the relaxivity associated with these complexes. The relaxivities of Gd2L1 and Gd2L2 (20 MHz, 298 K are 8.7 and 9.5 mM−1 s−1, respectively, +77% and +106% higher than the relaxivity values of the corresponding mononuclear GdDOTAMAP-En and GdHPDO3A complexes. A significant contribution of second sphere water molecules was accounted for the strong relaxivity enhancement of Gd2L2. MR phantom images of the dinuclear complexes compared to GdHPDO3A, recorded at 7 T, confirmed the superiority of Gd2L2. Finally, ab initio

  8. Polyhedral meshing as an innovative approach to computational domain discretization of a cyclone in a fluidized bed CLC unit

    Sosnowski Marcin

    2017-01-01

    Full Text Available Chemical Looping Combustion (CLC is a technology that allows the separation of CO2, which is generated by the combustion of fossil fuels. The majority of process designs currently under investigation are systems of coupled fluidized beds. Advances in the development of power generation system using CLC cannot be introduced without using numerical modelling as a research tool. The primary and critical activity in numerical modelling is the computational domain discretization. It influences the numerical diffusion as well as convergence of the model and therefore the overall accuracy of the obtained results. Hence an innovative approach of computational domain discretization using polyhedral (POLY mesh is proposed in the paper. This method reduces both the numerical diffusion of the mesh as well as the time cost of preparing the model for subsequent calculation. The major advantage of POLY mesh is that each individual cell has many neighbours, so gradients can be much better approximated in comparison to commonly-used tetrahedral (TET mesh. POLYs are also less sensitive to stretching than TETs which results in better numerical stability of the model. Therefore detailed comparison of numerical modelling results concerning subsection of CLC system using tetrahedral and polyhedral mesh is covered in the paper.

  9. Discrete Mathematics

    Sørensen, John Aasted

    2011-01-01

    ; construct a finite state machine for a given application. Apply these concepts to new problems. The teaching in Discrete Mathematics is a combination of sessions with lectures and students solving problems, either manually or by using Matlab. Furthermore a selection of projects must be solved and handed...... to accomplish the following: -Understand and apply formal representations in discrete mathematics. -Understand and apply formal representations in problems within discrete mathematics. -Understand methods for solving problems in discrete mathematics. -Apply methods for solving problems in discrete mathematics...... to new problems. Relations and functions: Define a product set; define and apply equivalence relations; construct and apply functions. Apply these concepts to new problems. Natural numbers and induction: Define the natural numbers; apply the principle of induction to verify a selection of properties...

  10. Digital Discretion

    Busch, Peter Andre; Zinner Henriksen, Helle

    2018-01-01

    discretion is suggested to reduce this footprint by influencing or replacing their discretionary practices using ICT. What is less researched is whether digital discretion can cause changes in public policy outcomes, and under what conditions such changes can occur. Using the concept of public service values......This study reviews 44 peer-reviewed articles on digital discretion published in the period from 1998 to January 2017. Street-level bureaucrats have traditionally had a wide ability to exercise discretion stirring debate since they can add their personal footprint on public policies. Digital......, we suggest that digital discretion can strengthen ethical and democratic values but weaken professional and relational values. Furthermore, we conclude that contextual factors such as considerations made by policy makers on the macro-level and the degree of professionalization of street...

  11. Mixed-ligand binuclear copper(II) complex of 5 ...

    The title compound was obtained as dark green ... tals were sorted using polarizing microscope (Leica. DMLSP). Crystals ... minimum peak heights of 0.405 and –0.285 e Å. −3. , respectively. .... placed in a centre of inversion. Each unit of the ...

  12. CD/MCD/VTVH-MCD Studies of Escherichia coli Bacterioferritin Support a Binuclear Iron Cofactor Site.

    Kwak, Yeonju; Schwartz, Jennifer K; Huang, Victor W; Boice, Emily; Kurtz, Donald M; Solomon, Edward I

    2015-12-01

    Ferritins and bacterioferritins (Bfrs) utilize a binuclear non-heme iron binding site to catalyze oxidation of Fe(II), leading to formation of an iron mineral core within a protein shell. Unlike ferritins, in which the diiron site binds Fe(II) as a substrate, which then autoxidizes and migrates to the mineral core, the diiron site in Bfr has a 2-His/4-carboxylate ligand set that is commonly found in diiron cofactor enzymes. Bfrs could, therefore, utilize the diiron site as a cofactor rather than for substrate iron binding. In this study, we applied circular dichroism (CD), magnetic CD (MCD), and variable-temperature, variable-field MCD (VTVH-MCD) spectroscopies to define the geometric and electronic structures of the biferrous active site in Escherichia coli Bfr. For these studies, we used an engineered M52L variant, which is known to eliminate binding of a heme cofactor but to have very minor effects on either iron oxidation or mineral core formation. We also examined an H46A/D50A/M52L Bfr variant, which additionally disrupts a previously observed mononuclear non-heme iron binding site inside the protein shell. The spectral analyses define a binuclear and an additional mononuclear ferrous site. The biferrous site shows two different five-coordinate centers. After O2 oxidation and re-reduction, only the mononuclear ferrous signal is eliminated. The retention of the biferrous but not the mononuclear ferrous site upon O2 cycling supports a mechanism in which the binuclear site acts as a cofactor for the O2 reaction, while the mononuclear site binds the substrate Fe(II) that, after its oxidation to Fe(III), migrates to the mineral core.

  13. Discrete Mathematics

    Sørensen, John Aasted

    2010-01-01

    The introduction of the mathematics needed for analysis, design and verification of discrete systems, including applications within programming languages for computer systems. Course sessions and project work. Semester: Spring 2010 Ectent: 5 ects Class size: 18......The introduction of the mathematics needed for analysis, design and verification of discrete systems, including applications within programming languages for computer systems. Course sessions and project work. Semester: Spring 2010 Ectent: 5 ects Class size: 18...

  14. Discrete Mathematics

    Sørensen, John Aasted

    2010-01-01

    The introduction of the mathematics needed for analysis, design and verification of discrete systems, including applications within programming languages for computer systems. Course sessions and project work. Semester: Autumn 2010 Ectent: 5 ects Class size: 15......The introduction of the mathematics needed for analysis, design and verification of discrete systems, including applications within programming languages for computer systems. Course sessions and project work. Semester: Autumn 2010 Ectent: 5 ects Class size: 15...

  15. Using discrete event simulation to compare the performance of family health unit and primary health care centre organizational models in Portugal.

    Fialho, André S; Oliveira, Mónica D; Sá, Armando B

    2011-10-15

    Recent reforms in Portugal aimed at strengthening the role of the primary care system, in order to improve the quality of the health care system. Since 2006 new policies aiming to change the organization, incentive structures and funding of the primary health care sector were designed, promoting the evolution of traditional primary health care centres (PHCCs) into a new type of organizational unit--family health units (FHUs). This study aimed to compare performances of PHCC and FHU organizational models and to assess the potential gains from converting PHCCs into FHUs. Stochastic discrete event simulation models for the two types of organizational models were designed and implemented using Simul8 software. These models were applied to data from nineteen primary care units in three municipalities of the Greater Lisbon area. The conversion of PHCCs into FHUs seems to have the potential to generate substantial improvements in productivity and accessibility, while not having a significant impact on costs. This conversion might entail a 45% reduction in the average number of days required to obtain a medical appointment and a 7% and 9% increase in the average number of medical and nursing consultations, respectively. Reorganization of PHCC into FHUs might increase accessibility of patients to services and efficiency in the provision of primary care services.

  16. Binuclear and tetranuclear Mn(II) clusters in coordination polymers derived from semirigid tetracarboxylate and N‑donor ligands: syntheses, new topology structures and magnetism

    Li, Xiao-Ling [College of Chemistry and Chemical Engineering, and Henan Key Laboratory of Function-Oriented Porous Materials, Luoyang Normal University, Luoyang 471934 (China); Liu, Guang-Zhen, E-mail: gzliuly@126.com [College of Chemistry and Chemical Engineering, and Henan Key Laboratory of Function-Oriented Porous Materials, Luoyang Normal University, Luoyang 471934 (China); Xin, Ling-Yun [College of Chemistry and Chemical Engineering, and Henan Key Laboratory of Function-Oriented Porous Materials, Luoyang Normal University, Luoyang 471934 (China); Wang, Li-Ya [College of Chemistry and Chemical Engineering, and Henan Key Laboratory of Function-Oriented Porous Materials, Luoyang Normal University, Luoyang 471934 (China); College of Chemistry and Pharmacy Engineering, Nanyang Normal University, Nanyang, Henan 473061 (China)

    2017-02-15

    Two topologically new Mn(II) coordination polymers, namely ([Mn{sub 2}(H{sub 4}ipca)(4,4′-bpy){sub 1.5}(CH{sub 3}CH{sub 2}OH){sub 0.5}(H{sub 2}O){sub 1.5}]·0.5CH{sub 3}CH{sub 2}OH·2.5H{sub 2}O){sub n} (1) and (Mn{sub 4}(H{sub 4}ipca){sub 2}(bze)(H{sub 2}O){sub 4}){sub n} (2) were prepared by the solvothermal reactions of Mn(II) acetate with 5-(2’,3’-dicarboxylphenoxy)isophthalic acid (H{sub 4}ipca) in the presence of different N-donor coligands (4,4′-bpy=4,4′-bipyridyl and bze=1, 4-bis(1-imidazoly)benzene). The single crystal X-ray diffractions reveal that two complexes display 3D metal-organic frameworks with binuclear and tetranuclear Mn(II) units, respectively. Complex 1 features a (3,4,6)-connected porous framework based on dinuclear Mn(II) unit with the (4.5{sup 2}){sub 2}(4{sup 2}.6{sup 8}.8{sup 3}.9{sup 2})(5{sup 2}.8.9{sup 2}.10) new topology, and complex 2 possesses a (3,8)-connected network based on tetranuclear Mn(II) unit with the (4{sup 2}.6){sub 2}(4{sup 4}.6{sup 14}.7{sup 7}.8{sup 2}.9) new topology. Magnetic analyses indicate that both two compounds show weak antiferromagnetic interactions within binuclear and tetranuclear Mn(II) units. - Graphical abstract: Two topologically new Mn(II) metal-organic frameworks with dinuclear and tetranuclear Mn(II) units respectively were assembled by using 5-(2′,3′-Dicarboxylphenoxy)isophthalic acid and N-donor ancillary coligands. Magnetic analysis revealed the existence of dominant antiferromagnetic interactions within the polynuclear Mn(II) units. - Highlights: • Mixed ligand strategy produces two topologically new MOFs with dinuclear and tetranuclear Mn(II) respectively. • Magnetic fitting gives weak antiferromagnetic interactions within the polynuclear Mn(II) units.

  17. Oxo-group-14-element bond formation in binuclear uranium(V) pacman complexes

    Jones, Guy M.; Arnold, Polly L.; Love, Jason B.

    2013-01-01

    Simple and versatile routes to the functionalization of uranyl-derived U"V-oxo groups are presented. The oxo-lithiated, binuclear uranium(V)-oxo complexes [{(py)_3LiOUO}_2(L)] and [{(py)_3LiOUO}(OUOSiMe_3)(L)] were prepared by the direct combination of the uranyl(VI) silylamide ''ate'' complex [Li(py)_2][(OUO)(N'')_3](N''=N(SiMe_3)_2) with the polypyrrolic macrocycle H_4L or the mononuclear uranyl (VI) Pacman complex [UO_2(py)(H_2L)], respectively. These oxo-metalated complexes display distinct U-O single and multiple bonding patterns and an axial/equatorial arrangement of oxo ligands. Their ready availability allows the direct functionalization of the uranyl oxo group leading to the binuclear uranium(V) oxo-stannylated complexes [{(R_3Sn)OUO}_2(L)] (R=nBu, Ph), which represent rare examples of mixed uranium/tin complexes. Also, uranium-oxo-group exchange occurred in reactions with [TiCl(OiPr)_3] to form U-O-C bonds [{(py)_3LiOUO}(OUOiPr)(L)] and [(iPrOUO)_2(L)]. Overall, these represent the first family of uranium(V) complexes that are oxo-functionalised by Group 14 elements. (Copyright copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  18. Peroxide Activation for Electrophilic Reactivity by the Binuclear Non-heme Iron Enzyme AurF

    Park, Kiyoung; Li, Ning; Kwak, Yeonju; Srnec, Martin

    2017-01-01

    Binuclear non-heme iron enzymes activate O 2 for diverse chemistries that include oxygenation of organic substrates and hydrogen atom abstraction. This process often involves the formation of peroxo-bridged biferric intermediates, only some of which can perform electrophilic reactions. To elucidate the geometric and electronic structural requirements to activate peroxo reactivity, the active peroxo intermediate in 4-aminobenzoate N-oxygenase (AurF) has been characterized spectroscopically and computationally. A magnetic circular dichroism study of reduced AurF shows that its electronic and geometric structures are poised to react rapidly with O 2 . Nuclear resonance vibrational spectroscopic definition of the peroxo intermediate formed in this reaction shows that the active intermediate has a protonated peroxo bridge. Density functional theory computations on the structure established here show that the protonation activates peroxide for electrophilic/single-electron-transfer reactivity. As a result, this activation of peroxide by protonation is likely also relevant to the reactive peroxo intermediates in other binuclear non-heme iron enzymes.

  19. Synergy and destructive interferences between local magnetic anisotropies in binuclear complexes

    Guihéry, Nathalie; Ruamps, Renaud [Laboratoire de Chimie et Physique Quantiques, UMR5625, University of Toulouse 3, Paul Sabatier, 118 route de Narbonne, 31062 Toulouse (France); Maurice, Rémi [SUBATECH, IN2P3/EMN Nantes/University of Nantes, 4 rue Alfred Kastler, BP 20722 44307, Nantes, Cedex 3 (France); Graaf, Coen de [University Rovira i Virgili, Marcelli Domingo s/n, 43007 Tarragona (Spain)

    2015-12-31

    Magnetic anisotropy is responsible for the single molecule magnet behavior of transition metal complexes. This behavior is characterized by a slow relaxation of the magnetization for low enough temperatures, and thus for a possible blocking of the magnetization. This bistable behavior can lead to possible technological applications in the domain of data storage or quantum computing. Therefore, the understanding of the microscopic origin of magnetic anisotropy has received a considerable interest during the last two decades. The presentation focuses on the determination of the anisotropy parameters of both mono-nuclear and bi-nuclear types of complexes and on the control and optimization of the anisotropic properties. The validity of the model Hamiltonians commonly used to characterize such complexes has been questioned and it is shown that neither the standard multispin Hamiltonian nor the giant spin Hamiltonian are appropriate for weakly coupled ions. Alternative models have been proposed and used to properly extract the relevant parameters. Rationalizations of the magnitude and nature of both local anisotropies of single ions and the molecular anisotropy of polynuclear complexes are provided. The synergy and interference effects between local magnetic anisotropies are studied in a series of binuclear complexes.

  20. Thioetherification of chloroheteroarenes: a binuclear catalyst promotes wide scope and high functional-group tolerance.

    Platon, Mélanie; Wijaya, Novi; Rampazzi, Vincent; Cui, Luchao; Rousselin, Yoann; Saeys, Mark; Hierso, Jean-Cyrille

    2014-09-22

    A constrained binuclear palladium catalyst system affords selective thioetherification of a wide range of functionalized arenethiols with chloroheteroaromatic partners with the highest turnover numbers (TONs) reported to date and tolerates a large variety of reactive functions. The scope of this system includes the coupling of thiophenols with six- and five-membered 2-chloroheteroarenes (i.e., functionalized pyridine, pyrazine, quinoline, pyrimidine, furane, and thiazole) and 3-bromoheteroarenes (i.e., pyridine and furane). Electron-rich congested thiophenols and fluorinated thiophenols are also suitable partners. The coupling of unprotected amino-2-chloropyridines with thiophenol and the successful employment of synthetically valuable chlorothiophenols are described with the same catalyst system. DFT studies attribute the high performance of this binuclear palladium catalyst to the decreased stability of thiolate-containing resting states. Palladium loading was as low as 0.2 mol %, which is important for industrial application and is a step forward in solving catalyst activation/deactivation problems. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Discrete mechanics

    Caltagirone, Jean-Paul

    2014-01-01

    This book presents the fundamental principles of mechanics to re-establish the equations of Discrete Mechanics. It introduces physics and thermodynamics associated to the physical modeling.  The development and the complementarity of sciences lead to review today the old concepts that were the basis for the development of continuum mechanics. The differential geometry is used to review the conservation laws of mechanics. For instance, this formalism requires a different location of vector and scalar quantities in space. The equations of Discrete Mechanics form a system of equations where the H

  2. Discrete mechanics

    Lee, T.D.

    1985-01-01

    This paper reviews the role of time throughout all phases of mechanics: classical mechanics, non-relativistic quantum mechanics, and relativistic quantum theory. As an example of the relativistic quantum field theory, the case of a massless scalar field interacting with an arbitrary external current is discussed. The comparison between the new discrete theory and the usual continuum formalism is presented. An example is given of a two-dimensional random lattice and its duel. The author notes that there is no evidence that the discrete mechanics is more appropriate than the usual continuum mechanics

  3. Enzyme-linked immunosorbent assay and polymerase chain reaction performance using Mexican and Guatemalan discrete typing unit I strains of Trypanosoma cruzi.

    Ballinas-Verdugo, Martha; Reyes, Pedro Antonio; Mejia-Dominguez, Ana; López, Ruth; Matta, Vivian; Monteón, Victor M

    2011-12-01

    Thirteen Trypanosoma cruzi isolates from different geographic regions of Mexico and Guatemala belonging to discrete typing unit (DTU) I and a reference CL-Brener (DTU VI) strain were used to perform enzyme-linked immunosorbent assay (ELISA) and polymerase chain reaction (PCR). A panel of 57 Mexican serum samples of patients with chronic chagasic cardiopathy and asymptomatic infected subjects (blood bank donors) were used in this study. DNA from the above 14 T. cruzi strains were extracted and analyzed by PCR using different sets of primers designed from minicircle and satellite T. cruzi DNA. The chronic chagasic cardiopathy serum samples were easily recognized with ELISA regardless of the source of antigenic extract used, even with the CL-Brener TcVI, but positive serum samples from blood bank donors in some cases were not recognized by some Mexican antigenic extracts. On the other hand, PCR showed an excellent performance despite the set of primers used, since all Mexican and Guatemalan T. cruzi strains were correctly amplified. In general terms, Mexican, Guatemalan, and CL-Brener T. cruzi strains are equally good sources of antigen when using the ELISA test to detect Mexican serum samples. However, there are some strains with poor performance. The DTU I strains are easily detected using either kinetoplast or satellite DNA target designed from DTU VI strains.

  4. Covalently attached multilayer assemblies of diazo-resins and binuclear cobalt phthalocyanines

    Li Xiaofang; Zhao Shuang; Yang Min; Sun Changqing; Guo, Liping

    2005-01-01

    By using the ionic self-assembly technique, ordered multilayer thin films composed of diazo-resin (DAR) as polycation and water-soluble binuclear cobalt phthalocyaninehexasulfonate (Bi-CoPc) as polyanion were alternately fabricated on quartz, CaF 2 and glassy carbon electrodes (GCEs). Upon ultraviolet irradiation, the adjacent interface of the multilayer films reacted to form a covalently cross-linking structure. The obtained thin films were characterized by ultraviolet (UV)-vis, Fourier transform infrared spectrometer (FTIR), X-ray diffraction (XRD), atomic force microscope (AFM), surface photovoltage spectra (SPS), and cyclic voltammetry. The results show that the uniform, highly stable and ordered multilayer thin films were formed. The linkage nature between the adjacent interface of the multilayer films converts from ionic to covalent, and, as a result, the stability of the multilayer thin films dramatically improved. The multilayer thin films on GCEs also exhibited excellent electrochemical behavior

  5. Covalently attached multilayer assemblies of diazo-resins and binuclear cobalt phthalocyanines

    Li Xiaofang [Key Lab of Supramolecular Structure and Materials, College of Chemistry, Jilin University, Changchun 130023 (China); Zhao Shuang [Key Lab of Supramolecular Structure and Materials, College of Chemistry, Jilin University, Changchun 130023 (China); Yang Min [Key Lab of Supramolecular Structure and Materials, College of Chemistry, Jilin University, Changchun 130023 (China); Sun Changqing [Key Lab of Supramolecular Structure and Materials, College of Chemistry, Jilin University, Changchun 130023 (China)]. E-mail: sunchq@mail.jlu.edu.cn; Guo, Liping [Department of Chemistry, Northeast Normal University, Changchun 130024 (China)

    2005-05-01

    By using the ionic self-assembly technique, ordered multilayer thin films composed of diazo-resin (DAR) as polycation and water-soluble binuclear cobalt phthalocyaninehexasulfonate (Bi-CoPc) as polyanion were alternately fabricated on quartz, CaF{sub 2} and glassy carbon electrodes (GCEs). Upon ultraviolet irradiation, the adjacent interface of the multilayer films reacted to form a covalently cross-linking structure. The obtained thin films were characterized by ultraviolet (UV)-vis, Fourier transform infrared spectrometer (FTIR), X-ray diffraction (XRD), atomic force microscope (AFM), surface photovoltage spectra (SPS), and cyclic voltammetry. The results show that the uniform, highly stable and ordered multilayer thin films were formed. The linkage nature between the adjacent interface of the multilayer films converts from ionic to covalent, and, as a result, the stability of the multilayer thin films dramatically improved. The multilayer thin films on GCEs also exhibited excellent electrochemical behavior.

  6. A binuclear Fe(III)Dy(III) single molecule magnet. Quantum effects and models.

    Ferbinteanu, Marilena; Kajiwara, Takashi; Choi, Kwang-Yong; Nojiri, Hiroyuki; Nakamoto, Akio; Kojima, Norimichi; Cimpoesu, Fanica; Fujimura, Yuichi; Takaishi, Shinya; Yamashita, Masahiro

    2006-07-19

    The binuclear [FeIII(bpca)(mu-bpca)Dy(NO3)4], having Single Molecule Magnet (SMM) properties, belonging to a series of isostructural FeIIILnIII complexes (Ln = Eu, Gd, Tb, Dy, Ho) and closely related FeIILnIII chain structures, was characterized in concise experimental and theoretical respects. The low temperature magnetization data showed hysteresis and tunneling. The anomalous temperature dependence of Mössbauer spectra is related to the onset of magnetic order, consistent with the magnetization relaxation time scale resulting from AC susceptibility measurements. The advanced ab initio calculations (CASSCF and spin-orbit) revealed the interplay of ligand field, spin-orbit, and exchange effects and probed the effective Ising nature of the lowest states, involved in the SMM and tunneling effects.

  7. Genome-scale multilocus microsatellite typing of Trypanosoma cruzi discrete typing unit I reveals phylogeographic structure and specific genotypes linked to human infection.

    Martin S Llewellyn

    2009-05-01

    Full Text Available Trypanosoma cruzi is the most important parasitic infection in Latin America and is also genetically highly diverse, with at least six discrete typing units (DTUs reported: Tc I, IIa, IIb, IIc, IId, and IIe. However, the current six-genotype classification is likely to be a poor reflection of the total genetic diversity present in this undeniably ancient parasite. To determine whether epidemiologically important information is "hidden" at the sub-DTU level, we developed a 48-marker panel of polymorphic microsatellite loci to investigate population structure among 135 samples from across the geographic distribution of TcI. This DTU is the major cause of resurgent human disease in northern South America but also occurs in silvatic triatomine vectors and mammalian reservoir hosts throughout the continent. Based on a total dataset of 12,329 alleles, we demonstrate that silvatic TcI populations are extraordinarily genetically diverse, show spatial structuring on a continental scale, and have undergone recent biogeographic expansion into the southern United States of America. Conversely, the majority of human strains sampled are restricted to two distinct groups characterised by a considerable reduction in genetic diversity with respect to isolates from silvatic sources. In Venezuela, most human isolates showed little identity with known local silvatic strains, despite frequent invasion of the domestic setting by infected adult vectors. Multilocus linkage indices indicate predominantly clonal parasite propagation among all populations. However, excess homozygosity among silvatic strains and raised heterozygosity among domestic populations suggest that some level of genetic recombination cannot be ruled out. The epidemiological significance of these findings is discussed.

  8. Binuclear trivalent and tetravalent uranium halides and cyanides supported by cyclooctatetraene ligands

    Wang, Cong-Zhi; Wu, Qun-Yan; Lan, Jian-Hui; Shi, Wei-Qun; Gibson, John K.

    2017-01-01

    Although the first organoactinide chloride Cp_3UCl (Cp = η"5-C_5H_5) was synthesized more than 50 years ago, binuclear uranium halides remain very rare in organoactinide chemistry. Herein, a series of binuclear trivalent and tetravalent uranium halides and cyanides with cyclooctatetraene ligands, (COT)_2U_2X_n (COT = η"8-C_8H_8; X=F, Cl, CN; n=2, 4), have been systematically studied using scalar-relativistic density functional theory (DFT). The structures with bridging halide or cyanide ligands were predicted to be the most stable complexes of (COT)_2U_2X_n, and all the complexes show weak antiferromagnetic interactions between the uranium centers. However, for each species, there is no significant uranium-uranium bonding interaction. The bonding between the metal and the ligands shows some degree of covalent character, especially between the metal and terminal halide or cyanide ligands. The U-5f and 6d orbitals are predominantly involved in the metal-ligand bonding. All the (COT)_2U_2X_n species were predicted to be more stable compared to the mononuclear half-sandwich complexes at room temperature in the gas phase such that (COT)_2U_2X_4 might be accessible through the known (COT)_2U complex. The tetravalent derivatives (COT)_2U_2X_4 are more energetically favorable than the trivalent (COT)_2U_2X_2 analogs, which may be attributed to the greater number of strong metal-ligand bonds in the former complexes.

  9. Oxo-group-14-element bond formation in binuclear uranium(V) pacman complexes

    Jones, Guy M.; Arnold, Polly L.; Love, Jason B. [EaStCHEM School of Chemistry, University of Edinburgh (United Kingdom)

    2013-07-29

    Simple and versatile routes to the functionalization of uranyl-derived U{sup V}-oxo groups are presented. The oxo-lithiated, binuclear uranium(V)-oxo complexes [{(py)_3LiOUO}{sub 2}(L)] and [{(py)_3LiOUO}(OUOSiMe{sub 3})(L)] were prepared by the direct combination of the uranyl(VI) silylamide ''ate'' complex [Li(py){sub 2}][(OUO)(N''){sub 3}](N''=N(SiMe{sub 3}){sub 2}) with the polypyrrolic macrocycle H{sub 4}L or the mononuclear uranyl (VI) Pacman complex [UO{sub 2}(py)(H{sub 2}L)], respectively. These oxo-metalated complexes display distinct U-O single and multiple bonding patterns and an axial/equatorial arrangement of oxo ligands. Their ready availability allows the direct functionalization of the uranyl oxo group leading to the binuclear uranium(V) oxo-stannylated complexes [{(R_3Sn)OUO}{sub 2}(L)] (R=nBu, Ph), which represent rare examples of mixed uranium/tin complexes. Also, uranium-oxo-group exchange occurred in reactions with [TiCl(OiPr){sub 3}] to form U-O-C bonds [{(py)_3LiOUO}(OUOiPr)(L)] and [(iPrOUO){sub 2}(L)]. Overall, these represent the first family of uranium(V) complexes that are oxo-functionalised by Group 14 elements. (Copyright copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  10. Binuclear trivalent and tetravalent uranium halides and cyanides supported by cyclooctatetraene ligands

    Wang, Cong-Zhi; Wu, Qun-Yan; Lan, Jian-Hui; Shi, Wei-Qun [Chinese Academy of Sciences, Beijing (China). Laboratory of Nuclear Energy Chemistry and Key Laboratory for Biomedical Effects of Nanomaterials and Nanosafety; Chai, Zhi-Fang [Chinese Academy of Sciences, Beijing (China). Laboratory of Nuclear Energy Chemistry and Key Laboratory for Biomedical Effects of Nanomaterials and Nanosafety; Soochow Univ., Suzhou (China). School of Radiological and Interdisciplinary Sciences (RAD-X); Gibson, John K. [Lawrence Berkeley National Laboratory, CA (United States). Chemical Sciences Division

    2017-03-01

    Although the first organoactinide chloride Cp{sub 3}UCl (Cp = η{sup 5}-C{sub 5}H{sub 5}) was synthesized more than 50 years ago, binuclear uranium halides remain very rare in organoactinide chemistry. Herein, a series of binuclear trivalent and tetravalent uranium halides and cyanides with cyclooctatetraene ligands, (COT){sub 2}U{sub 2}X{sub n} (COT = η{sup 8}-C{sub 8}H{sub 8}; X=F, Cl, CN; n=2, 4), have been systematically studied using scalar-relativistic density functional theory (DFT). The structures with bridging halide or cyanide ligands were predicted to be the most stable complexes of (COT){sub 2}U{sub 2}X{sub n}, and all the complexes show weak antiferromagnetic interactions between the uranium centers. However, for each species, there is no significant uranium-uranium bonding interaction. The bonding between the metal and the ligands shows some degree of covalent character, especially between the metal and terminal halide or cyanide ligands. The U-5f and 6d orbitals are predominantly involved in the metal-ligand bonding. All the (COT){sub 2}U{sub 2}X{sub n} species were predicted to be more stable compared to the mononuclear half-sandwich complexes at room temperature in the gas phase such that (COT){sub 2}U{sub 2}X{sub 4} might be accessible through the known (COT){sub 2}U complex. The tetravalent derivatives (COT){sub 2}U{sub 2}X{sub 4} are more energetically favorable than the trivalent (COT){sub 2}U{sub 2}X{sub 2} analogs, which may be attributed to the greater number of strong metal-ligand bonds in the former complexes.

  11. Discrete optimization

    Parker, R Gary

    1988-01-01

    This book treats the fundamental issues and algorithmic strategies emerging as the core of the discipline of discrete optimization in a comprehensive and rigorous fashion. Following an introductory chapter on computational complexity, the basic algorithmic results for the two major models of polynomial algorithms are introduced--models using matroids and linear programming. Further chapters treat the major non-polynomial algorithms: branch-and-bound and cutting planes. The text concludes with a chapter on heuristic algorithms.Several appendixes are included which review the fundamental ideas o

  12. Synthesis and characterization of a new complex binuclear of binuclear of Pd(II) containing the antibiotic oxy tetracycline; Sintese e caracterizacao de um novo complexo bimetalico de Pd(II) contendo o antibiotico oxitetraciclina

    Guerra, Wendell [Universidade Federal de Uberlandia (UFU), MG (Brazil). Inst. de Quimica; Fontes, Ana Paula Soares [Universidade Federal de Juiz de Fora (UFJF), MG (Brazil). Dept. de Quimica; Pereira-Maia, Elene Cristina [Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, MG (Brazil). Dept. de Quimica

    2010-07-01

    This article reports the synthesis and characterization of a new binuclear complex of palladium (II) containing the antibiotic oxytetracycline. The complex was characterized by the usual techniques of analysis. With respect to sites of coordination, the IR spectral data suggests the involvement the oxygen of the amide group and the oxygen of the neighbor hydroxyl group at ring A and to the carbonyl oxygen at C11 and the hydroxyl group at C12. (author)

  13. Discrete gradients in discrete classical mechanics

    Renna, L.

    1987-01-01

    A simple model of discrete classical mechanics is given where, starting from the continuous Hamilton equations, discrete equations of motion are established together with a proper discrete gradient definition. The conservation laws of the total discrete momentum, angular momentum, and energy are demonstrated

  14. Efficacy of 2-hydroxy-3-phenylsulfanylmethyl-[1,4]-naphthoquinone derivatives against different Trypanosoma cruzi discrete type units: Identification of a promising hit compound.

    Lara, L S; Moreira, C S; Calvet, C M; Lechuga, G C; Souza, R S; Bourguignon, S C; Ferreira, V F; Rocha, D; Pereira, M C S

    2018-01-20

    The limited efficacy of benznidazole (Bz) indicated by failures of current Phase II clinical trials emphasizes the urgent need to identify new drugs with improved safety and efficacy for treatment of Chagas disease (CD). Herein, we analyzed the efficacy of a series of 2-hydroxy-3-phenylsulfanylmethyl-[1,4]-naphthoquinones against different Trypanosoma cruzi discrete type units (DTUs) of relevant clinical forms of CD. Cytotoxic and trypanocidal effect of naphthoquinone derivatives were assessed in mammalian cells, trypomastigotes and intracellular amastigotes using, luminescent assays (CellTiter-Glo and T. cruzi Dm28c-luciferase) and/or counting with a light microscope. Reactive oxygen species (ROS) production and intracellular targets of promising compounds were assessed with 2',7'-dichlorodihydrofluorescein diacetate (H 2 DCFDA) probe and ultrastructural analysis, respectively. ADMET properties were analyzed by in silico modeling. Most of the compounds showed low cytotoxic effect. Only two compounds (Compounds 2 and 11) had IC 50 values lower than Bz, showing higher susceptibility of bloodstream trypomastigotes. Compound 2 exhibited greater efficacy against trypomastigotes from different T. cruzi DTUs, even better than Bz against Brazil and CL strains. Ultrastructural analysis revealed changes in intracellular compartments, suggesting autophagy as one possible mechanism of action. Oxidative stress, induced by Compound 2, resulted in elevated level of ROS, leading to parasite death. Compound 2 was also effective against intracellular amastigotes, showing high selectivity index. ADMET analysis predicted good oral bioavailability, reduced drug metabolism and no carcinogenic potential for Compound 2. The data highlight Compound 2 as a hit compound and stimulate further structural and pharmacological optimization to potentiate its trypanocidal activity and selectivity. Copyright © 2017. Published by Elsevier Masson SAS.

  15. Discrete transforms

    Firth, Jean M

    1992-01-01

    The analysis of signals and systems using transform methods is a very important aspect of the examination of processes and problems in an increasingly wide range of applications. Whereas the initial impetus in the development of methods appropriate for handling discrete sets of data occurred mainly in an electrical engineering context (for example in the design of digital filters), the same techniques are in use in such disciplines as cardiology, optics, speech analysis and management, as well as in other branches of science and engineering. This text is aimed at a readership whose mathematical background includes some acquaintance with complex numbers, linear differen­ tial equations, matrix algebra, and series. Specifically, a familiarity with Fourier series (in trigonometric and exponential forms) is assumed, and an exposure to the concept of a continuous integral transform is desirable. Such a background can be expected, for example, on completion of the first year of a science or engineering degree cour...

  16. XAFS Study of the Ferro- and Antiferromagnetic Binuclear Copper(II) Complexes of Azomethine Based Tridentate Ligands

    Vlasenko, Valery G.; Vasilchenko, Igor S.; Shestakova, Tatiana E.; Uraev, Ali I.; Burlov, Anatolii S.; Garnovskii, Alexander D.; Pirog, Irina V.

    2007-01-01

    Binuclear copper complexes are known to be models for metalloenzymes containing copper active sites, and some of them are of considerable interest due to their magnetic and charge transfer properties. The reactions of the complex formation of bibasic tridentate heterocyclic imines with copper acetate leads to two types of chelates with mono deprotonated ligands and with totally deprotonated ligands. Cu K-edge EXAFS has been applied to determine the local structure around the metal center in copper(II) azomethine complexes with five tridentate ligands: 1-(salycilideneimino)- or 1-(2-tosylaminobenzilideneimino)-2-amino(oxo, thio)benzimidazoles. It has been found that some of the chelates studied are bridged binuclear copper complexes, and others are mononuclear complexes. The copper-copper interatomic distances in the bridged binuclear copper complexes were found to be 2.85-3.01 A. Variable temperature magnetic susceptibility data indicate the presence of both ferromagnetic and antiferromagnetic interactions within the dimer, the former is dominating at low temperatures and the latter at high temperatures

  17. Synthesis, spectral characterization and structural studies of a novel O, N, O donor semicarbazone and its binuclear copper complex with hydrogen bond stabilized lattice

    Layana, S. R.; Saritha, S. R.; Anitha, L.; Sithambaresan, M.; Sudarsanakumar, M. R.; Suma, S.

    2018-04-01

    A novel O,N,O donor salicylaldehyde-N4-phenylsemicarbazone, (H2L) has been synthesized and physicochemically characterized. Detailed structural studies of H2L using single crystal X-ray diffraction technique reveals the existence of intra and inter molecular hydrogen bonding interactions, which provide extra stability to the molecule. We have successfully synthesized a binuclear copper(II) complex, [Cu2(HL)2(NO3)(H2O)2]NO3 with phenoxy bridging between the two copper centers. The complex was characterized by elemental analysis, magnetic susceptibility and conductivity measurements, FT-IR, UV-Visible, mass and EPR spectral methods. The grown crystals of the copper complex were employed for the single crystal X-ray diffraction studies. The complex possesses geometrically different metal centers, in which the ligand coordinates through ketoamide oxygen, azomethine nitrogen and deprotonated phenoxy oxygen. The extensive intermolecular hydrogen bonding interactions of the coordinated and the lattice nitrate groups interconnect the complex units to form a 2D supramolecular assembly. The ESI mass spectrum substantiates the existence of 1:1 complex. The g values obtained from the EPR spectrum in frozen DMF suggest dx2 -y2 ground state for the unpaired electron.

  18. A general reaction mechanism for carbapenem hydrolysis by mononuclear and binuclear metallo-β-lactamases.

    Lisa, María-Natalia; Palacios, Antonela R; Aitha, Mahesh; González, Mariano M; Moreno, Diego M; Crowder, Michael W; Bonomo, Robert A; Spencer, James; Tierney, David L; Llarrull, Leticia I; Vila, Alejandro J

    2017-09-14

    Carbapenem-resistant Enterobacteriaceae threaten human health, since carbapenems are last resort drugs for infections by such organisms. Metallo-β-lactamases (MβLs) are the main mechanism of resistance against carbapenems. Clinically approved inhibitors of MBLs are currently unavailable as design has been limited by the incomplete knowledge of their mechanism. Here, we report a biochemical and biophysical study of carbapenem hydrolysis by the B1 enzymes NDM-1 and BcII in the bi-Zn(II) form, the mono-Zn(II) B2 Sfh-I and the mono-Zn(II) B3 GOB-18. These MβLs hydrolyse carbapenems via a similar mechanism, with accumulation of the same anionic intermediates. We characterize the Michaelis complex formed by mono-Zn(II) enzymes, and we identify all intermediate species, enabling us to propose a chemical mechanism for mono and binuclear MβLs. This common mechanism open avenues for rationally designed inhibitors of all MβLs, notwithstanding the profound differences between these enzymes' active site structure, β-lactam specificity and metal content.Carbapenem-resistant bacteria pose a major health threat by expressing metallo-β-lactamases (MβLs), enzymes able to hydrolyse these life-saving drugs. Here the authors use biophysical and computational methods and show that different MβLs share the same reaction mechanism, suggesting new strategies for drug design.

  19. Catalytic function of the mycobacterial binuclear iron monooxygenase in acetone metabolism.

    Furuya, Toshiki; Nakao, Tomomi; Kino, Kuniki

    2015-10-01

    Mycobacteria such as Mycobacterium smegmatis strain mc(2)155 and Mycobacterium goodii strain 12523 are able to grow on acetone and use it as a source of carbon and energy. We previously demonstrated by gene deletion analysis that the mimABCD gene cluster, which encodes a binuclear iron monooxygenase, plays an essential role in acetone metabolism in these mycobacteria. In the present study, we determined the catalytic function of MimABCD in acetone metabolism. Whole-cell assays were performed using Escherichia coli cells expressing the MimABCD complex. When the recombinant E. coli cells were incubated with acetone, a product was detected by gas chromatography (GC) analysis. Based on the retention time and the gas chromatography-mass spectrometry (GC-MS) spectrum, the reaction product was identified as acetol (hydroxyacetone). The recombinant E. coli cells produced 1.02 mM of acetol from acetone within 24 h. Furthermore, we demonstrated that MimABCD also was able to convert methylethylketone (2-butanone) to 1-hydroxy-2-butanone. Although it has long been known that microorganisms such as mycobacteria metabolize acetone via acetol, this study provides the first biochemical evidence for the existence of a microbial enzyme that catalyses the conversion of acetone to acetol. © FEMS 2015. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

  20. Discrete Curvatures and Discrete Minimal Surfaces

    Sun, Xiang

    2012-01-01

    This thesis presents an overview of some approaches to compute Gaussian and mean curvature on discrete surfaces and discusses discrete minimal surfaces. The variety of applications of differential geometry in visualization and shape design leads

  1. Dissolved inorganic carbon, total alkalinity, pH, and other variables collected from profile and discrete sample observations using CTD, Niskin bottle, and other instruments from NOAA Ship Gordon Gunter off the northeastern coast of the United States from 2014-03-01 to 2014-03-08 (NCEI Accession 0137724)

    National Oceanic and Atmospheric Administration, Department of Commerce — This archival package contains discrete bottle (CTD profile) data that was collected in the northeastern coast of the United States in 2014. Increasing amounts of...

  2. Dissolved inorganic carbon, total alkalinity, pH, and other variables collected from profile and discrete sample observations using CTD, Niskin bottle, and other instruments from NOAA Ship Pisces off the northeastern coast of the United States from 2012-10-27 to 2012-11-13 (NCEI Accession 0137874)

    National Oceanic and Atmospheric Administration, Department of Commerce — This archival package contains discrete bottle (CTD profile) data that were collected off the Northeastern coast of the United States in 2012. Increasing amounts of...

  3. Dissolved inorganic carbon, total alkalinity, pH, and other variables collected from profile and discrete sample observations using CTD, Niskin bottle, and other instruments from NOAA Ship Gordon Gunter off the northeastern coast of the United States from 2013-06-09 to 2013-06-23 (NCEI Accession 0137723)

    National Oceanic and Atmospheric Administration, Department of Commerce — This archival package contains discrete bottle (CTD profile) data that was collected in the northeastern coast of the United States in 2013. Increasing amounts of...

  4. Dissolved inorganic carbon, total alkalinity, pH, and other variables collected from profile and discrete sample observations using CTD, Niskin bottle, and other instruments from NOAA Ship Henry B. Bigelow off the Northeastern coast of the United States from 2012-06-02 to 2012-06-13 (NCEI Accession 0138982)

    National Oceanic and Atmospheric Administration, Department of Commerce — This archival package contains discrete bottle (CTD profile) data that were collected off the Northeastern coast of the United States in 2012. Increasing amounts of...

  5. Dissolved inorganic carbon, total alkalinity, pH, and other variables collected from profile and discrete sample observations using CTD, Niskin bottle, and other instruments from NOAA Ship Gordon Gunter off the northeastern coast of the United States from 2013-11-14 to 2013-11-24 (NCEI Accession 0137722)

    National Oceanic and Atmospheric Administration, Department of Commerce — This archival package contains discrete bottle (CTD profile) data that was collected in the northeastern coast of the United States in 2013. Increasing amounts of...

  6. Dissolved inorganic carbon, total alkalinity, pH, and other variables collected from profile and discrete sample observations using CTD, Niskin bottle, and other instruments from NOAA Ship Pisces off the northeastern coast of the United States from 2014-11-04 to 2014-11-18 (NCEI Accession 0137873)

    National Oceanic and Atmospheric Administration, Department of Commerce — This archival package contains discrete bottle (CTD profile) data that was collected in the northeastern coast of the United States in 2014. Increasing amounts of...

  7. Discrete Curvatures and Discrete Minimal Surfaces

    Sun, Xiang

    2012-06-01

    This thesis presents an overview of some approaches to compute Gaussian and mean curvature on discrete surfaces and discusses discrete minimal surfaces. The variety of applications of differential geometry in visualization and shape design leads to great interest in studying discrete surfaces. With the rich smooth surface theory in hand, one would hope that this elegant theory can still be applied to the discrete counter part. Such a generalization, however, is not always successful. While discrete surfaces have the advantage of being finite dimensional, thus easier to treat, their geometric properties such as curvatures are not well defined in the classical sense. Furthermore, the powerful calculus tool can hardly be applied. The methods in this thesis, including angular defect formula, cotangent formula, parallel meshes, relative geometry etc. are approaches based on offset meshes or generalized offset meshes. As an important application, we discuss discrete minimal surfaces and discrete Koenigs meshes.

  8. The remarkable discreteness of being

    Life is a discrete, stochastic phenomenon: for a biological organism, the time of the two most important events of its life (reproduction and death) is random and these events change the number of individuals of the species by single units. These facts can have surprising, counterintuitive consequences. I review here three ...

  9. Post-divorce custody arrangements and binuclear family structures of Flemish adolescents

    An Katrien Sodermans

    2013-03-01

    Full Text Available BACKGROUND Because of the tendency towards equal parental rights in post-divorce custody decisions, the number of children living partially in two households after divorce has increased. Because of this evolution, traditional family typologies have been challenged. OBJECTIVE In this study, we want to describe the post-divorce custody arrangements and family configurations of Flemish adolescents (between 12 and 18 years old. METHODS We use four waves of the Leuven Adolescents and Families Study, a yearly survey in which adolescents are questioned at school about their family life, family relationships and various dimensions of their wellbeing. Our research sample consists of 1525 adolescents who experienced a parental break-up. First, we present information on the proportion of adolescents in different custody arrangements, according to divorce cohort, age and sex. Next, we describe post-divorce family configurations, according to the custody arrangement and different criteria of co-residence between children and step-parents. RESULTS We observe a higher proportion of adolescents spending at least 33Š of time in both parental households (shared residence for more recent divorce cohorts. A large proportion of adolescents is living with a new partner of the mother or father, but there are important differences, according to the criteria used to define stepfamily configurations. CONCLUSIONS The relatively high incidence figures of children in shared residence challenge the current dichotomous post-divorce family concept in terms of single parent families and stepfamilies. Family typologies applying a binuclear perspective are therefore increasingly meaningful and necessary. In addition, shared residence increases the chance of co-residence with at least one step-parent, and increases the proportion of children with a part-time residential stepmother.

  10. Mimetic discretization methods

    Castillo, Jose E

    2013-01-01

    To help solve physical and engineering problems, mimetic or compatible algebraic discretization methods employ discrete constructs to mimic the continuous identities and theorems found in vector calculus. Mimetic Discretization Methods focuses on the recent mimetic discretization method co-developed by the first author. Based on the Castillo-Grone operators, this simple mimetic discretization method is invariably valid for spatial dimensions no greater than three. The book also presents a numerical method for obtaining corresponding discrete operators that mimic the continuum differential and

  11. Synthesis, characterisation and chemical reactivity of some new binuclear dioxouranium(VI) complexes derived from organic diazo compounds (Preprint No. CT-33)

    Pujar, M.A.; Pirgonde, B.R.

    1988-02-01

    A new series of binuclear dioxouranium(VI) complexes of polydentatate diazo compounds have been synthesised and characterised adequately by analysis, physio-chemical techniques and reactivity of these complexes. The location of bonding site of ligands, stability of complexes and status of U-O bond and probable structures of these complexes have been discussed. (author). 10 refs

  12. Time Discretization Techniques

    Gottlieb, S.; Ketcheson, David I.

    2016-01-01

    The time discretization of hyperbolic partial differential equations is typically the evolution of a system of ordinary differential equations obtained by spatial discretization of the original problem. Methods for this time evolution include

  13. Calculation of the exchange coupling constants of copper binuclear systems based on spin-flip constricted variational density functional theory.

    Zhekova, Hristina R; Seth, Michael; Ziegler, Tom

    2011-11-14

    We have recently developed a methodology for the calculation of exchange coupling constants J in weakly interacting polynuclear metal clusters. The method is based on unrestricted and restricted second order spin-flip constricted variational density functional theory (SF-CV(2)-DFT) and is here applied to eight binuclear copper systems. Comparison of the SF-CV(2)-DFT results with experiment and with results obtained from other DFT and wave function based methods has been made. Restricted SF-CV(2)-DFT with the BH&HLYP functional yields consistently J values in excellent agreement with experiment. The results acquired from this scheme are comparable in quality to those obtained by accurate multi-reference wave function methodologies such as difference dedicated configuration interaction and the complete active space with second-order perturbation theory. © 2011 American Institute of Physics

  14. A new crystal form of Aspergillus oryzae catechol oxidase and evaluation of copper site structures in coupled binuclear copper enzymes.

    Penttinen, Leena; Rutanen, Chiara; Saloheimo, Markku; Kruus, Kristiina; Rouvinen, Juha; Hakulinen, Nina

    2018-01-01

    Coupled binuclear copper (CBC) enzymes have a conserved type 3 copper site that binds molecular oxygen to oxidize various mono- and diphenolic compounds. In this study, we found a new crystal form of catechol oxidase from Aspergillus oryzae (AoCO4) and solved two new structures from two different crystals at 1.8-Å and at 2.5-Å resolutions. These structures showed different copper site forms (met/deoxy and deoxy) and also differed from the copper site observed in the previously solved structure of AoCO4. We also analysed the electron density maps of all of the 56 CBC enzyme structures available in the protein data bank (PDB) and found that many of the published structures have vague copper sites. Some of the copper sites were then re-refined to find a better fit to the observed electron density. General problems in the refinement of metalloproteins and metal centres are discussed.

  15. A new crystal form of Aspergillus oryzae catechol oxidase and evaluation of copper site structures in coupled binuclear copper enzymes.

    Leena Penttinen

    Full Text Available Coupled binuclear copper (CBC enzymes have a conserved type 3 copper site that binds molecular oxygen to oxidize various mono- and diphenolic compounds. In this study, we found a new crystal form of catechol oxidase from Aspergillus oryzae (AoCO4 and solved two new structures from two different crystals at 1.8-Å and at 2.5-Å resolutions. These structures showed different copper site forms (met/deoxy and deoxy and also differed from the copper site observed in the previously solved structure of AoCO4. We also analysed the electron density maps of all of the 56 CBC enzyme structures available in the protein data bank (PDB and found that many of the published structures have vague copper sites. Some of the copper sites were then re-refined to find a better fit to the observed electron density. General problems in the refinement of metalloproteins and metal centres are discussed.

  16. A study of binuclear zirconium hydride catalysts of the hydrogenolysis of alkanes by the density functional theory method

    Ustynyuk, L. Yu.; Fast, A. S.; Ustynyuk, Yu. A.; Lunin, V. V.

    2012-06-01

    Binuclear hydride centers containing two Zr(IV) atoms are suggested as promising catalysts for the hydrogenolysis of alkanes under mild conditions ( T model compounds L2(H)Zr(X)2Zr(H)L2 (X = H, L = OSi≡ ( 4a), X = L = OMe ( 4d)), L(H)Zr(O)2Zr(H)L (L = OSi≡ ( 4b), Cp( 4c)) and (≡SiO)2(H)Zr-O-Zr(H)(OSi≡)2 ( 4e and 4f) with the propane molecule were studied using the density functional theory method. The results show that centers of the 4a, 4e, and 4f types and especially 4b are promising catalysts of the hydrogenolysis of alkanes due to a high degree of unsaturation of two Zr atoms and their sequential participation in the splitting of the C-C bond and hydrogenation of ethylene formed as a result of splitting.

  17. British discretion in Dutch planning: establishing a comparative perspective for regional planning and local development in the Netherlands and the United Kingdom

    Janssen-Jansen, L.B.; Woltjer, J.

    2010-01-01

    Regional planning and development is continuing to take an important role in planning agendas throughout Europe. In the United Kingdom (UK), the planning system has been reformed during the last decades, marking a noticeable shift from a development-led towards a more plan-led system. In the

  18. Societal Preferences for Funding Orphan Drugs in the United Kingdom: An Application of Person Trade-Off and Discrete Choice Experiment Methods.

    Bourke, Siobhan M; Plumpton, Catrin O; Hughes, Dyfrig A

    2018-05-01

    It is unclear whether UK National Health Service (NHS) policies for orphan drugs, which permit funding of non-cost-effective treatments, reflect societal preferences. We conducted person trade-off (PTO) and discrete choice experiment (DCE) among 3950 adults selected to be representative of the UK general population. Experimental design was informed by surveys of patients affected by rare diseases, their caregivers, health care staff, and policymakers. Societal preferences were estimated in relation to treating a common disease, increases in waiting lists, or filling of vacant NHS posts. Results of the DCE were applied to recently licensed orphan drugs. On the basis of equal cost, the majority of respondents to the PTO (54%; 95% confidence interval [CI] 50-59) chose to allocate funds equally between patients treated for rare diseases and those treated for common diseases, with 32% (95% CI 28-36) favoring treating rare diseases over treating common diseases (14%; 95% CI 11-17), which this reduced to 23% (95% CI 20-27) when rare disease treatments were 10 times more expensive. When framed differently, more respondents prioritized not increasing waiting list size (43%; 95% CI 39-48) than to treat rare disease patients (34%; 95% CI 30-38). The DCE indicated a greater preference for treating a common disease over a rare disease. Respondents agreed with five of 12 positive appraisal recommendations for orphan drugs, even if their list price was higher, but preferred the NHS not to fund the remainder. The general public does not value rarity as a sufficient reason to justify special consideration for additional NHS funding of orphan drugs. This has implications regarding the appropriateness of operating higher thresholds of cost-effectiveness. Copyright © 2018 International Society for Pharmacoeconomics and Outcomes Research (ISPOR). Published by Elsevier Inc. All rights reserved.

  19. Dark energy from discrete spacetime.

    Aaron D Trout

    Full Text Available Dark energy accounts for most of the matter-energy content of our universe, yet current theories of its origin rely on radical physical assumptions such as the holographic principle or controversial anthropic arguments. We give a better motivated explanation for dark energy, claiming that it arises from a small negative scalar-curvature present even in empty spacetime. The vacuum has this curvature because spacetime is fundamentally discrete and there are more ways for a discrete geometry to have negative curvature than positive. We explicitly compute this effect using a variant of the well known dynamical-triangulations (DT model for quantum gravity. Our model predicts a time-varying non-zero cosmological constant with a current value, [Formula: see text] in natural units, in agreement with observation. This calculation is made possible by a novel characterization of the possible DT action values combined with numerical evidence concerning their degeneracies.

  20. Dark energy from discrete spacetime.

    Trout, Aaron D

    2013-01-01

    Dark energy accounts for most of the matter-energy content of our universe, yet current theories of its origin rely on radical physical assumptions such as the holographic principle or controversial anthropic arguments. We give a better motivated explanation for dark energy, claiming that it arises from a small negative scalar-curvature present even in empty spacetime. The vacuum has this curvature because spacetime is fundamentally discrete and there are more ways for a discrete geometry to have negative curvature than positive. We explicitly compute this effect using a variant of the well known dynamical-triangulations (DT) model for quantum gravity. Our model predicts a time-varying non-zero cosmological constant with a current value, [Formula: see text] in natural units, in agreement with observation. This calculation is made possible by a novel characterization of the possible DT action values combined with numerical evidence concerning their degeneracies.

  1. Preparation and properties of mononuclear and binuclear uranyl(VI), thorium(IV) and transition d ions complexes with multidentate Schiff bases

    Vidali, M; Casellato, U; Vigato, P A; Doretti, L; Madalosso, F [Consiglio Nazionale delle Ricerche, Padua (Italy). Lab. di Chimica e Tecnologia dei Radioelementi

    1977-01-01

    The preparation, physical and chemical properties of a variety of mononuclear and binuclear complexes containing Schiff base ligands derived from 3-formylsalicylic acid and diamines are reported. The Schiff bases have six potential donor atoms and can function as tetrabasic ligands. In the mononuclear complexes the copper(II) and nickel(II) ions occupy the N/sub 2/O/sub 2/ donor set and the uranyl(VI) ion the O/sub 2/O/sub 2/ one. Both types of complexes can act as ligand toward transition metal ions to form complexes with a binuclear structure connected by two phenolic oxygens. The complexes have been characterized by magnetic measurements and by IR and visible spectral methods.

  2. Baecklund transformations for discrete Painleve equations: Discrete PII-PV

    Sakka, A.; Mugan, U.

    2006-01-01

    Transformation properties of discrete Painleve equations are investigated by using an algorithmic method. This method yields explicit transformations which relates the solutions of discrete Painleve equations, discrete P II -P V , with different values of parameters. The particular solutions which are expressible in terms of the discrete analogue of the classical special functions of discrete Painleve equations can also be obtained from these transformations

  3. EPR studies on binuclear copper(II) complexes with N,N',N'',N'''-tetrakis(2-pyridylmethyl)-1,4,8,11-tetraaza-cyclotetradecane in solutions

    Jezierska, J.; Ozarowski, A.; Vuckovic, G.

    1997-01-01

    Binuclear copper(II) complexes of macrocyclic ligand TMPC (tetraazamacrocycle with four pendant 2-pirydylmethyl groups attached to the ring nitrogen atoms) with various anions forming bridge between copper ions, or coordinating to copper(II) ions at the apex, were prepared and their frozen solutions in DMF and NMF were investigated by EPR. The spectroscopic results have been interpreted in terms of molecular structure of investigated complexes

  4. Nano optical sensor binuclear Pt-2-pyrazinecarboxylic acid -bipyridine for enhancement of the efficiency of 3-nitrotyrosine biomarker for early diagnosis of liver cirrhosis with minimal hepatic encephalopathy.

    Attia, M S; Al-Radadi, Najlaa S

    2016-12-15

    A new, precise, and very selective method for increasing the impact and assessment of 3-nitrotyrosine (3-Nty) as a biomarker for early diagnosis of liver cirrhosis with minimal hepatic encephalopathy (MHE) disease was developed. The method depends on the formation of the ion pair associate between 3-nitrotyrosine and the optical sensor binuclear Pt-2-pyrazinecarboxylic acid (pca)-Bipyridine (bpy) complex doped in sol-gel matrix in buffer solution of pH 7.3. The binuclear Pt (pca)(bpy) has +II net charge which is very selective and sensitive for [3-Nty](-2) at pH 7.3 in serum sample of liver cirrhosis with MHE diseases. 3-nitrotyrosine (3-Nty) quenches the luminescence intensity of the nano optical sensor binuclear Pt(pca) (bpy) at 528nm after excitation at 370nm, pH 7.3. The remarkable quenching of the luminescence intensity at 528nm of nano binuclear Pt(pca) (bpy) doped in sol-gel matrix by various concentrations of the 3-Nty was successfully used as an optical sensor for the assessment of 3-Nty in different serum samples of (MHE) in patients with liver cirrhosis. The calibration plot was achieved over the concentration range 1.85×10(-5) - 7.95×10(-10)molL(-1) 3-Nty with a correlation coefficient of (0.999) and a detection limit of (4.7×10(-10)molL(-1)). The method increases the sensitivity (93.75%) and specificity (96.45%) of 3-Nty as a biomarker for early diagnosis of liver cirrhosis with MHE in patients. Copyright © 2016 Elsevier B.V. All rights reserved.

  5. Discrete Gabor transform and discrete Zak transform

    Bastiaans, M.J.; Namazi, N.M.; Matthews, K.

    1996-01-01

    Gabor's expansion of a discrete-time signal into a set of shifted and modulated versions of an elementary signal or synthesis window is introduced, along with the inverse operation, i.e. the Gabor transform, which uses an analysis window that is related to the synthesis window and with the help of

  6. Compilation, quality control, analysis, and summary of discrete suspended-sediment and ancillary data in the United States, 1901-2010

    Lee, Casey J.; Glysson, G. Douglas

    2013-01-01

    Human-induced and natural changes to the transport of sediment and sediment-associated constituents can degrade aquatic ecosystems and limit human uses of streams and rivers. The lack of a dedicated, easily accessible, quality-controlled database of sediment and ancillary data has made it difficult to identify sediment-related water-quality impairments and has limited understanding of how human actions affect suspended-sediment concentrations and transport. The purpose of this report is to describe the creation of a quality-controlled U.S. Geological Survey suspended-sediment database, provide guidance for its use, and summarize characteristics of suspended-sediment data through 2010. The database is provided as an online application at http://cida.usgs.gov/sediment to allow users to view, filter, and retrieve available suspended-sediment and ancillary data. A data recovery, filtration, and quality-control process was performed to expand the availability, representativeness, and utility of existing suspended-sediment data collected by the U.S. Geological Survey in the United States before January 1, 2011. Information on streamflow condition, sediment grain size, and upstream landscape condition were matched to sediment data and sediment-sampling sites to place data in context with factors that may influence sediment transport. Suspended-sediment and selected ancillary data are presented from across the United States with respect to time, streamflow, and landscape condition. Examples of potential uses of this database for identifying sediment-related impairments, assessing trends, and designing new data collection activities are provided. This report and database can support local and national-level decision making, project planning, and data mining activities related to the transport of suspended-sediment and sediment-associated constituents.

  7. Discrete Mathematics Re "Tooled."

    Grassl, Richard M.; Mingus, Tabitha T. Y.

    1999-01-01

    Indicates the importance of teaching discrete mathematics. Describes how the use of technology can enhance the teaching and learning of discrete mathematics. Explorations using Excel, Derive, and the TI-92 proved how preservice and inservice teachers experienced a new dimension in problem solving and discovery. (ASK)

  8. Homogenization of discrete media

    Pradel, F.; Sab, K.

    1998-01-01

    Material such as granular media, beam assembly are easily seen as discrete media. They look like geometrical points linked together thanks to energetic expressions. Our purpose is to extend discrete kinematics to the one of an equivalent continuous material. First we explain how we build the localisation tool for periodic materials according to estimated continuum medium type (classical Cauchy, and Cosserat media). Once the bridge built between discrete and continuum media, we exhibit its application over two bidimensional beam assembly structures : the honey comb and a structural reinforced variation. The new behavior is then applied for the simple plan shear problem in a Cosserat continuum and compared with the real discrete solution. By the mean of this example, we establish the agreement of our new model with real structures. The exposed method has a longer range than mechanics and can be applied to every discrete problems like electromagnetism in which relationship between geometrical points can be summed up by an energetic function. (orig.)

  9. Discrete density of states

    Aydin, Alhun; Sisman, Altug

    2016-01-01

    By considering the quantum-mechanically minimum allowable energy interval, we exactly count number of states (NOS) and introduce discrete density of states (DOS) concept for a particle in a box for various dimensions. Expressions for bounded and unbounded continua are analytically recovered from discrete ones. Even though substantial fluctuations prevail in discrete DOS, they're almost completely flattened out after summation or integration operation. It's seen that relative errors of analytical expressions of bounded/unbounded continua rapidly decrease for high NOS values (weak confinement or high energy conditions), while the proposed analytical expressions based on Weyl's conjecture always preserve their lower error characteristic. - Highlights: • Discrete density of states considering minimum energy difference is proposed. • Analytical DOS and NOS formulas based on Weyl conjecture are given. • Discrete DOS and NOS functions are examined for various dimensions. • Relative errors of analytical formulas are much better than the conventional ones.

  10. Discrete density of states

    Aydin, Alhun; Sisman, Altug, E-mail: sismanal@itu.edu.tr

    2016-03-22

    By considering the quantum-mechanically minimum allowable energy interval, we exactly count number of states (NOS) and introduce discrete density of states (DOS) concept for a particle in a box for various dimensions. Expressions for bounded and unbounded continua are analytically recovered from discrete ones. Even though substantial fluctuations prevail in discrete DOS, they're almost completely flattened out after summation or integration operation. It's seen that relative errors of analytical expressions of bounded/unbounded continua rapidly decrease for high NOS values (weak confinement or high energy conditions), while the proposed analytical expressions based on Weyl's conjecture always preserve their lower error characteristic. - Highlights: • Discrete density of states considering minimum energy difference is proposed. • Analytical DOS and NOS formulas based on Weyl conjecture are given. • Discrete DOS and NOS functions are examined for various dimensions. • Relative errors of analytical formulas are much better than the conventional ones.

  11. Discrete control systems

    Okuyama, Yoshifumi

    2014-01-01

    Discrete Control Systems establishes a basis for the analysis and design of discretized/quantized control systemsfor continuous physical systems. Beginning with the necessary mathematical foundations and system-model descriptions, the text moves on to derive a robust stability condition. To keep a practical perspective on the uncertain physical systems considered, most of the methods treated are carried out in the frequency domain. As part of the design procedure, modified Nyquist–Hall and Nichols diagrams are presented and discretized proportional–integral–derivative control schemes are reconsidered. Schemes for model-reference feedback and discrete-type observers are proposed. Although single-loop feedback systems form the core of the text, some consideration is given to multiple loops and nonlinearities. The robust control performance and stability of interval systems (with multiple uncertainties) are outlined. Finally, the monograph describes the relationship between feedback-control and discrete ev...

  12. Discrete repulsive oscillator wavefunctions

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

    2009-01-01

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

  13. Discrete Element Modeling

    Morris, J; Johnson, S

    2007-12-03

    The Distinct Element Method (also frequently referred to as the Discrete Element Method) (DEM) is a Lagrangian numerical technique where the computational domain consists of discrete solid elements which interact via compliant contacts. This can be contrasted with Finite Element Methods where the computational domain is assumed to represent a continuum (although many modern implementations of the FEM can accommodate some Distinct Element capabilities). Often the terms Discrete Element Method and Distinct Element Method are used interchangeably in the literature, although Cundall and Hart (1992) suggested that Discrete Element Methods should be a more inclusive term covering Distinct Element Methods, Displacement Discontinuity Analysis and Modal Methods. In this work, DEM specifically refers to the Distinct Element Method, where the discrete elements interact via compliant contacts, in contrast with Displacement Discontinuity Analysis where the contacts are rigid and all compliance is taken up by the adjacent intact material.

  14. Synthesis, electrochemical properties, and charge-transfer band of binuclear 1,10-phenanthroline/bis(2,2'-bipyridine) complexes of ruthenium

    Tinnemans, A.H.A.; Timmer, K.; Reinten, M.; Kraaijkamp, J.G.; Alberts, A.H.; van der Linden, J.G.M.; Schmitz, J.E.J.; Saaman, A.A.

    1981-01-01

    The preparation of the mononuclear [Ru(bpy) 2 L] 2+ (L = bpy, phenOCH 3 , phenC(==O)NH-n-C 3 H 7 ), the binuclear [(bpy) 2 RuLRu(bpy) 2 ] 4+ (L = phenO(CH 2 CH 2 O)/sub n/phen (n = 2-4), phenC(==O)NHCH 2 CH 2 O)/sub n/(CH 2 CH 2 NH(O==)Cphen (n = 1,2), phenC(==O)NH(CH 2 )/sub n/NH(O==)Cphen (n = 3,6)), and the trinuclear [N[CH 2 CH 2 OphenRu(bpy) 2 ] 3 ] 6+ is described. Both the mononuclear and the binuclear complexes exhibit at a platinum electrode one oxidation wave and three reduction waves at potentials close to those observed for Ru(bpy) 3 2+ . The oxidation and the reductions of the binuclear complexes are two-electron-transfer reactions. From the reduction of the peak width of the differential pulse polarograms it is concluded that K/sub con/less than or equal to 1 for the conproportionation equilibrium [2,2] + [3,3] in equilibrium 2[2,3]. The mixed-valence 5+ ion has an intervalence-transfer band in the solid state (KBr) in the near-infrared spectral region. Given the saturated character of the bridge, this represents a clear example of an intramolecular outer-sphere electron-transfer transition

  15. Intra-/Intermolecular Bifurcated Chalcogen Bonding in Crystal Structure of Thiazole/Thiadiazole Derived Binuclear (DiaminocarbenePdII Complexes

    Alexander S. Mikherdov

    2018-02-01

    Full Text Available The coupling of cis-[PdCl2(CNXyl2] (Xyl = 2,6-Me2C6H3 with 4-phenylthiazol-2-amine in molar ratio 2:3 at RT in CH2Cl2 leads to binuclear (diaminocarbenePdII complex 3c. The complex was characterized by HRESI+-MS, 1H NMR spectroscopy, and its structure was elucidated by single-crystal XRD. Inspection of the XRD data for 3c and for three relevant earlier obtained thiazole/thiadiazole derived binuclear diaminocarbene complexes (3a EYOVIZ; 3b: EYOWAS; 3d: EYOVOF suggests that the structures of all these species exhibit intra-/intermolecular bifurcated chalcogen bonding (BCB. The obtained data indicate the presence of intramolecular S•••Cl chalcogen bonds in all of the structures, whereas varying of substituent in the 4th and 5th positions of the thiazaheterocyclic fragment leads to changes of the intermolecular chalcogen bonding type, viz. S•••π in 3a,b, S•••S in 3c, and S•••O in 3d. At the same time, the change of heterocyclic system (from 1,3-thiazole to 1,3,4-thiadiazole does not affect the pattern of non-covalent interactions. Presence of such intermolecular chalcogen bonding leads to the formation of one-dimensional (1D polymeric chains (for 3a,b, dimeric associates (for 3c, or the fixation of an acetone molecule in the hollow between two diaminocarbene complexes (for 3d in the solid state. The Hirshfeld surface analysis for the studied X-ray structures estimated the contributions of intermolecular chalcogen bonds in crystal packing of 3a–d: S•••π (3a: 2.4%; 3b: 2.4%, S•••S (3c: less 1%, S•••O (3d: less 1%. The additionally performed DFT calculations, followed by the topological analysis of the electron density distribution within the framework of Bader’s theory (AIM method, confirm the presence of intra-/intermolecular BCB S•••Cl/S•••S in dimer of 3c taken as a model system (solid state geometry. The AIM analysis demonstrates the presence of appropriate bond critical points for these

  16. Discrete Calculus by Analogy

    Izadi, F A; Bagirov, G

    2009-01-01

    With its origins stretching back several centuries, discrete calculus is now an increasingly central methodology for many problems related to discrete systems and algorithms. The topics covered here usually arise in many branches of science and technology, especially in discrete mathematics, numerical analysis, statistics and probability theory as well as in electrical engineering, but our viewpoint here is that these topics belong to a much more general realm of mathematics; namely calculus and differential equations because of the remarkable analogy of the subject to this branch of mathemati

  17. Finite Discrete Gabor Analysis

    Søndergaard, Peter Lempel

    2007-01-01

    frequency bands at certain times. Gabor theory can be formulated for both functions on the real line and for discrete signals of finite length. The two theories are largely the same because many aspects come from the same underlying theory of locally compact Abelian groups. The two types of Gabor systems...... can also be related by sampling and periodization. This thesis extends on this theory by showing new results for window construction. It also provides a discussion of the problems associated to discrete Gabor bases. The sampling and periodization connection is handy because it allows Gabor systems...... on the real line to be well approximated by finite and discrete Gabor frames. This method of approximation is especially attractive because efficient numerical methods exists for doing computations with finite, discrete Gabor systems. This thesis presents new algorithms for the efficient computation of finite...

  18. Adaptive Discrete Hypergraph Matching.

    Yan, Junchi; Li, Changsheng; Li, Yin; Cao, Guitao

    2018-02-01

    This paper addresses the problem of hypergraph matching using higher-order affinity information. We propose a solver that iteratively updates the solution in the discrete domain by linear assignment approximation. The proposed method is guaranteed to converge to a stationary discrete solution and avoids the annealing procedure and ad-hoc post binarization step that are required in several previous methods. Specifically, we start with a simple iterative discrete gradient assignment solver. This solver can be trapped in an -circle sequence under moderate conditions, where is the order of the graph matching problem. We then devise an adaptive relaxation mechanism to jump out this degenerating case and show that the resulting new path will converge to a fixed solution in the discrete domain. The proposed method is tested on both synthetic and real-world benchmarks. The experimental results corroborate the efficacy of our method.

  19. Discrete fractional calculus

    Goodrich, Christopher

    2015-01-01

    This text provides the first comprehensive treatment of the discrete fractional calculus. Experienced researchers will find the text useful as a reference for discrete fractional calculus and topics of current interest. Students who are interested in learning about discrete fractional calculus will find this text to provide a useful starting point. Several exercises are offered at the end of each chapter and select answers have been provided at the end of the book. The presentation of the content is designed to give ample flexibility for potential use in a myriad of courses and for independent study. The novel approach taken by the authors includes a simultaneous treatment of the fractional- and integer-order difference calculus (on a variety of time scales, including both the usual forward and backwards difference operators). The reader will acquire a solid foundation in the classical topics of the discrete calculus while being introduced to exciting recent developments, bringing them to the frontiers of the...

  20. Discrete quantum gravity

    Williams, Ruth M

    2006-01-01

    A review is given of a number of approaches to discrete quantum gravity, with a restriction to those likely to be relevant in four dimensions. This paper is dedicated to Rafael Sorkin on the occasion of his sixtieth birthday

  1. Comparison of two binuclear vanadium-catecholate complexes: Synthesis, X-ray structure and effects in cancer cells

    Chi, Zixiang; Zhu, Linli; Lu, Xiaoming

    2011-08-01

    Two binuclear vanadium-catecholate complexes [Et 3NH] 2[V VO 2(μ-cat)] 2( 1) and [Et 3NH] 2[V VO 2(μ-N-2,3-D)] 2( 2) (cat = catechol, N-2,3-D = naphthalene-2,3-diol) have been synthesized and characterized by X-ray diffraction, IR, UV-vis spectroscopy and cyclic voltammetry (CV). X-ray analysis reveals that the structures of complexes 1 and 2 are both in the anion form of V. Et 3N works as counter-ions and connects the main frame by hydrogen bonding. The electrochemical behavior of the two complexes is studied in comparison to that of the free ligands and the two complexes display different redox potentials. Pharmaceutical screenings of complexes 1 and 2 have been made against two representative cancer cell-lines A-549 (lung cancer) and Bel-7402 (liver cancer) by MTT assay. The inhibition of cell proliferation was determined 72 h after cells were exposed to the tested compounds at a concentration of 5 μg/mL. Complex 1 exhibits well inhibition ratio against both two cell-lines (76.28% and 75.94%), while 2 displays positive and negative effect (65.36% and -68.82%) respectively. In association with X-ray and electrochemistry, a preliminary analysis about the possible inhibitory mechanism is provided.

  2. Ratiometric colorimetric determination of coenzyme A using gold nanoparticles and a binuclear uranyl complex as optical probes

    Wu, Rurong; Liao, Lifu; Li, Shijun; Yang, Yanyan; Xiao, Xilin; Nie, Changming

    2016-01-01

    We describe a ratiometric colorimetric method for the determination of coenzyme A (CoA) by using gold nanoparticles (AuNPs) and bis-uranyl-bis-sulfosalophen (BUBSS) as optical probes. BUBSS is a binuclear uranyl complex and formed through the chelating reaction of two uranyl ions with bis-sulfosalophen. CoA is captured by the AuNPs via the thiol group and this leads to the formation of CoA-AuNPs. In a second step, BUBSS binds two CoA-AuNPs through a coordination reaction between the uranyl ions in BUBSS and the phosphate groups in CoA-AuNPs. This causes the CoA-AuNPs to aggregate and results in a color change from wine red to blue. A ratiometric colorimetric assay was established for CoA based on the ratiometric measurement of absorbance changes at 650 and 525 nm. Their ratio is linearly related to the concentration of CoA in the 0 to 1.2 μmol⋅L -1 range, with a 6 nmol⋅ L- 1 detection limit under optimal conditions. The method was successfully applied to the determination of CoA in spiked liver samples with recoveries between 99.4 and 102.6 %. (author)

  3. Trypanosoma cruzi strains isolated from human, vector, and animal reservoir in the same endemic region in Mexico and typed as T. cruzi I, discrete typing unit 1 exhibit considerable biological diversity

    María del Carmen Sánchez-Guillén

    2006-09-01

    Full Text Available In this study, three strains of Trypanosoma cruzi were isolated at the same time and in the same endemic region in Mexico from a human patient with chronic chagasic cardiomyopathy (RyC-H; vector (Triatoma barberi (RyC-V; and rodent reservoir (Peromyscus peromyscus (RyC-R. The three strains were characterized by multilocus enzyme electrophoresis, random amplified polymorphic DNA, and by pathological profiles in experimental animals (biodemes. Based on the analysis of genetic markers the three parasite strains were typed as belonging to T. cruzi I major group, discrete typing unit 1. The pathological profile of RyC-H and RyC-V strains indicated medium virulence and low mortality and, accordingly, the strains should be considered as belonging to biodeme Type III. On the other hand, the parasites from RyC-R strain induced more severe inflammatory processes and high mortality (> 40% and were considered as belonging to biodeme Type II. The relationship between genotypes and biological characteristics in T. cruzi strains is still debated and not clearly understood. An expert committee recommended in 1999 that Biodeme Type III would correspond to T. cruzi I group, whereas Biodeme Type II, to T. cruzi II group. Our findings suggest that, at least for Mexican isolates, this correlation does not stand and that biological characteristics such as pathogenicity and virulence could be determined by factors different from those identified in the genotypic characterization

  4. Discrete computational structures

    Korfhage, Robert R

    1974-01-01

    Discrete Computational Structures describes discrete mathematical concepts that are important to computing, covering necessary mathematical fundamentals, computer representation of sets, graph theory, storage minimization, and bandwidth. The book also explains conceptual framework (Gorn trees, searching, subroutines) and directed graphs (flowcharts, critical paths, information network). The text discusses algebra particularly as it applies to concentrates on semigroups, groups, lattices, propositional calculus, including a new tabular method of Boolean function minimization. The text emphasize

  5. On the discrete reconciliation of relativity and quantum mechanics

    Noyes, H.P.

    1987-03-01

    A way is sketched to replace physics based on arbitrary units of mass, length, and time by counting in terms of these quantized values and to replace continuum mathematical physics by computer science. The consequences of such a discrete physics are summarized. These are obtained by postulating finiteness, discreteness, finite computability, absolute non-uniqueness, and additivity

  6. Homogenization of discrete media

    Pradel, F.; Sab, K. [CERAM-ENPC, Marne-la-Vallee (France)

    1998-11-01

    Material such as granular media, beam assembly are easily seen as discrete media. They look like geometrical points linked together thanks to energetic expressions. Our purpose is to extend discrete kinematics to the one of an equivalent continuous material. First we explain how we build the localisation tool for periodic materials according to estimated continuum medium type (classical Cauchy, and Cosserat media). Once the bridge built between discrete and continuum media, we exhibit its application over two bidimensional beam assembly structures : the honey comb and a structural reinforced variation. The new behavior is then applied for the simple plan shear problem in a Cosserat continuum and compared with the real discrete solution. By the mean of this example, we establish the agreement of our new model with real structures. The exposed method has a longer range than mechanics and can be applied to every discrete problems like electromagnetism in which relationship between geometrical points can be summed up by an energetic function. (orig.) 7 refs.

  7. DISCRETE MATHEMATICS/NUMBER THEORY

    Mrs. Manju Devi*

    2017-01-01

    Discrete mathematics is the study of mathematical structures that are fundamentally discrete rather than continuous. In contrast to real numbers that have the property of varying "smoothly", the objects studied in discrete mathematics such as integers, graphs, and statements do not vary smoothly in this way, but have distinct, separated values. Discrete mathematics therefore excludes topics in "continuous mathematics" such as calculus and analysis. Discrete objects can often be enumerated by ...

  8. Discrete-Event Simulation

    Prateek Sharma

    2015-04-01

    Full Text Available Abstract Simulation can be regarded as the emulation of the behavior of a real-world system over an interval of time. The process of simulation relies upon the generation of the history of a system and then analyzing that history to predict the outcome and improve the working of real systems. Simulations can be of various kinds but the topic of interest here is one of the most important kind of simulation which is Discrete-Event Simulation which models the system as a discrete sequence of events in time. So this paper aims at introducing about Discrete-Event Simulation and analyzing how it is beneficial to the real world systems.

  9. Discrete systems and integrability

    Hietarinta, J; Nijhoff, F W

    2016-01-01

    This first introductory text to discrete integrable systems introduces key notions of integrability from the vantage point of discrete systems, also making connections with the continuous theory where relevant. While treating the material at an elementary level, the book also highlights many recent developments. Topics include: Darboux and Bäcklund transformations; difference equations and special functions; multidimensional consistency of integrable lattice equations; associated linear problems (Lax pairs); connections with Padé approximants and convergence algorithms; singularities and geometry; Hirota's bilinear formalism for lattices; intriguing properties of discrete Painlevé equations; and the novel theory of Lagrangian multiforms. The book builds the material in an organic way, emphasizing interconnections between the various approaches, while the exposition is mostly done through explicit computations on key examples. Written by respected experts in the field, the numerous exercises and the thoroug...

  10. Discrete Sparse Coding.

    Exarchakis, Georgios; Lücke, Jörg

    2017-11-01

    Sparse coding algorithms with continuous latent variables have been the subject of a large number of studies. However, discrete latent spaces for sparse coding have been largely ignored. In this work, we study sparse coding with latents described by discrete instead of continuous prior distributions. We consider the general case in which the latents (while being sparse) can take on any value of a finite set of possible values and in which we learn the prior probability of any value from data. This approach can be applied to any data generated by discrete causes, and it can be applied as an approximation of continuous causes. As the prior probabilities are learned, the approach then allows for estimating the prior shape without assuming specific functional forms. To efficiently train the parameters of our probabilistic generative model, we apply a truncated expectation-maximization approach (expectation truncation) that we modify to work with a general discrete prior. We evaluate the performance of the algorithm by applying it to a variety of tasks: (1) we use artificial data to verify that the algorithm can recover the generating parameters from a random initialization, (2) use image patches of natural images and discuss the role of the prior for the extraction of image components, (3) use extracellular recordings of neurons to present a novel method of analysis for spiking neurons that includes an intuitive discretization strategy, and (4) apply the algorithm on the task of encoding audio waveforms of human speech. The diverse set of numerical experiments presented in this letter suggests that discrete sparse coding algorithms can scale efficiently to work with realistic data sets and provide novel statistical quantities to describe the structure of the data.

  11. Quantum chemical calculations and experimental investigations on 2-aminobenzoic acid-cyclodiphosph(V)azane derivative and its homo-binuclear Cu(II) complex

    El-Gogary, Tarek M.; Alaghaz, Abdel-Nasser M. A.; Ammar, Reda A. A.

    2012-03-01

    A novel 2-aminobenzoic acid-cyclodiphosph(V)azane ligand H4L and its homo-binuclear Cu(II) complex of the type [Cu2L(H2O)2].2.5 H2O in which L is 1,3-di(-o-pyridyl)-2,4-(dioxo)-2',4'-bis-(2-iminobenzoic acid) cyclodiphosph(V)azane, were synthesized and characterized by different physical techniques. Infrared spectra of the complex indicate deprotonation and coordination of the imine NH and carboxyl COOH groups. It also confirms that nitrogen atom of the pyridine ring contribute to the complexation. Electronic spectra and magnetic susceptibility measurements reveal square-planar geometry for the Cu(II) complex. The elemental analyses and thermogravimetric results have justified the [Cu2L(H2O)2]·2.5H2O composition of the complex. Quantum chemical calculations were utilized to explore the electronic structure and stability of the H4L as well as the binuclear Cu(II) complex. Computational studies have been carried out at the DFT-B3LYP/6-31G(d) level of theory on the structural and spectroscopic properties of H4L and its binuclear Cu(II) complex. Different tautomers and geometrical isomers of the ligand were optimized at the ab initio DFT level. Simulated IR frequencies were scaled and compared with that experimentally measured. TD-DFT method was used to compute the UV-VIS spectra which show good agreement with measured electronic spectra.

  12. Introductory discrete mathematics

    Balakrishnan, V K

    2010-01-01

    This concise text offers an introduction to discrete mathematics for undergraduate students in computer science and mathematics. Mathematics educators consider it vital that their students be exposed to a course in discrete methods that introduces them to combinatorial mathematics and to algebraic and logical structures focusing on the interplay between computer science and mathematics. The present volume emphasizes combinatorics, graph theory with applications to some stand network optimization problems, and algorithms to solve these problems.Chapters 0-3 cover fundamental operations involv

  13. Discrete-Event Simulation

    Prateek Sharma

    2015-01-01

    Abstract Simulation can be regarded as the emulation of the behavior of a real-world system over an interval of time. The process of simulation relies upon the generation of the history of a system and then analyzing that history to predict the outcome and improve the working of real systems. Simulations can be of various kinds but the topic of interest here is one of the most important kind of simulation which is Discrete-Event Simulation which models the system as a discrete sequence of ev...

  14. Synthesis, spectroscopic and biological activities studies of acyclic and macrocyclic mono and binuclear metal complexes containing a hard-soft Schiff base.

    Abou-Hussein, Azza A A; Linert, Wolfgang

    2012-09-01

    Mono- and bi-nuclear acyclic and macrocyclic complexes with hard-soft Schiff base, H(2)L, ligand derived from the reaction of 4,6-diacetylresorcinol and thiocabohydrazide, in the molar ratio 1:2 have been prepared. The H(2)L ligand reacts with Co(II), Ni(II), Cu(II), Zn(II), Mn(II) and UO(2)(VI) nitrates, VO(IV) sulfate and Ru(III) chloride to get acyclic binuclear complexes except for VO(IV) and Ru(III) which gave acyclic mono-nuclear complexes. Reaction of the acyclic mono-nuclear VO(IV) and Ru(III) complexes with 4,6-diacetylresorcinol afforded the corresponding macrocyclic mono-nuclear VO(IV) and Ru(IIII) complexes. Template reactions of the 4,6-diacetylresorcinol and thiocarbohydrazide with either VO(IV) or Ru(III) salts afforded the macrocyclic binuclear VO(IV) and Ru(III) complexes. The Schiff base, H(2)L, ligand acts as dibasic with two NSO-tridentate sites and can coordinate with two metal ions to form binuclear complexes after the deprotonation of the hydrogen atoms of the phenolic groups in all the complexes, except in the case of the acyclic mononuclear Ru(III) and VO(IV) complexes, where the Schiff base behaves as neutral tetradentate chelate with N(2)S(2) donor atoms. The ligands and the metal complexes were characterized by elemental analysis, IR, UV-vis (1)H-NMR, thermal gravimetric analysis (TGA) and ESR, as well as the measurements of conductivity and magnetic moments at room temperature. Electronic spectra and magnetic moments of the complexes indicate the geometries of the metal centers are either tetrahedral, square planar or octahedral. Kinetic and thermodynamic parameters were calculated using Coats-Redfern equation, for the different thermal decomposition steps of the complexes. The ligands and the metal complexes were screened for their antimicrobial activity against Staphylococcus aureus as Gram-positive bacteria, and Pseudomonas fluorescens as Gram-negative bacteria in addition to Fusarium oxysporum fungus. Most of the complexes exhibit

  15. Discrete-Time Systems

    We also describe discrete-time systems in terms of difference ... A more modern alternative, especially for larger systems, is to convert ... In other words, ..... picture?) State-variable equations are also called state-space equations because the ...

  16. Discrete Lorentzian quantum gravity

    Loll, R.

    2000-01-01

    Just as for non-abelian gauge theories at strong coupling, discrete lattice methods are a natural tool in the study of non-perturbative quantum gravity. They have to reflect the fact that the geometric degrees of freedom are dynamical, and that therefore also the lattice theory must be formulated

  17. What Is Discrete Mathematics?

    Sharp, Karen Tobey

    This paper cites information received from a number of sources, e.g., mathematics teachers in two-year colleges, publishers, and convention speakers, about the nature of discrete mathematics and about what topics a course in this subject should contain. Note is taken of the book edited by Ralston and Young which discusses the future of college…

  18. The ultimatum game: Discrete vs. continuous offers

    Dishon-Berkovits, Miriam; Berkovits, Richard

    2014-09-01

    In many experimental setups in social-sciences, psychology and economy the subjects are requested to accept or dispense monetary compensation which is usually given in discrete units. Using computer and mathematical modeling we show that in the framework of studying the dynamics of acceptance of proposals in the ultimatum game, the long time dynamics of acceptance of offers in the game are completely different for discrete vs. continuous offers. For discrete values the dynamics follow an exponential behavior. However, for continuous offers the dynamics are described by a power-law. This is shown using an agent based computer simulation as well as by utilizing an analytical solution of a mean-field equation describing the model. These findings have implications to the design and interpretation of socio-economical experiments beyond the ultimatum game.

  19. Discrete Exterior Calculus Discretization of Incompressible Navier-Stokes Equations

    Mohamed, Mamdouh S.; Hirani, Anil N.; Samtaney, Ravi

    2017-01-01

    A conservative discretization of incompressible Navier-Stokes equations over surface simplicial meshes is developed using discrete exterior calculus (DEC). Numerical experiments for flows over surfaces reveal a second order accuracy

  20. Discrete mKdV and discrete sine-Gordon flows on discrete space curves

    Inoguchi, Jun-ichi; Kajiwara, Kenji; Matsuura, Nozomu; Ohta, Yasuhiro

    2014-01-01

    In this paper, we consider the discrete deformation of the discrete space curves with constant torsion described by the discrete mKdV or the discrete sine-Gordon equations, and show that it is formulated as the torsion-preserving equidistant deformation on the osculating plane which satisfies the isoperimetric condition. The curve is reconstructed from the deformation data by using the Sym–Tafel formula. The isoperimetric equidistant deformation of the space curves does not preserve the torsion in general. However, it is possible to construct the torsion-preserving deformation by tuning the deformation parameters. Further, it is also possible to make an arbitrary choice of the deformation described by the discrete mKdV equation or by the discrete sine-Gordon equation at each step. We finally show that the discrete deformation of discrete space curves yields the discrete K-surfaces. (paper)

  1. Human colon cancer targeted pro-apoptotic, anti-metastatic and cytostatic effects of binuclear Silver(I)-N-Heterocyclic carbene (NHC) complexes.

    Asif, Muhammad; Iqbal, Muhammad Adnan; Hussein, Mouayed A; Oon, Chern Ein; Haque, Rosenani A; Khadeer Ahamed, Mohamed B; Abdul Majid, Aman Shah; Abdul Majid, Amin Malik Shah

    2016-01-27

    The current mechanistic study was conducted to explore the effects of increased lipophilicity of binuclear silver(I)-NHC complexes on cytotoxicity. Two new silver(I)-N-Heterocyclic Carbene (NHC) complexes (3 and 4), having lypophilic terminal alkyl chains (Octyl and Decyl), were derived from meta-xylyl linked bis-benzimidazolium salts (1 and 2). Each of the synthesized compounds was characterized by microanalysis and spectroscopic techniques. The complexes were tested for their cytotoxicity against a panel of human cancer c as well normal cell lines using MTT assay. Based on MTT assay results, complex 4 was found to be selectively toxic towards human colorectal carcinoma cell line (HCT 116). Complex 4 was further studied in detail to explore the mechanism of cell death and findings of the study revealed that complex 4 has promising pro-apoptotic and anti-metastatic activities against HCT 116 cells. Furthermore, it showed pronounced cytostatic effects in HCT 116 multicellular spheroid model. Hence, binuclear silver(I)-NHC complexes with longer terminal aliphatic chains have worth to be further studied against human colon cancer for the purpose of drug development. Copyright © 2015 Elsevier Masson SAS. All rights reserved.

  2. Structural, spectral and biological studies of binuclear tetradentate metal complexes of N 3O Schiff base ligand synthesized from 4,6-diacetylresorcinol and diethylenetriamine

    Emara, Adel A. A.

    2010-09-01

    The binuclear Schiff base, H 2L, ligand was synthesized by reaction of 4,6-diacetylresorcinol with diethylenetriamine in the molar ratio 1:2. The coordination behavior of the H 2L towards Cu(II), Ni(II), Co(II), Zn(II), Fe(III), Cr(III), VO(IV) and UO 2(VI) ions has been investigated. The elemental analyses, magnetic moments, thermal studies and IR, electronic, 1H NMR, ESR and mass spectra were used to characterize the isolated ligand and its metal complexes. The ligand acts as dibasic with two N 3O-tetradentate sites and can coordinate with two metal ions to form binuclear complexes. The bonding sites are the nitrogen atoms of the azomethine and amine groups and the oxygen atoms of the phenolic groups. The metal complexes exhibit either square planar, tetrahedral, square pyramid or octahedral structures. The Schiff base ligand and its metal complexes were tested against four pathogenic bacteria ( Staphylococcus aureus and Streptococcus pyogenes) as Gram-positive bacteria, and ( Pseudomonas fluorescens and Pseudomonas phaseolicola) as Gram-negative bacteria and two pathogenic fungi ( Fusarium oxysporum and Aspergillus fumigatus) to assess their antimicrobial properties. Most of the complexes exhibit mild antibacterial and antifungal activities against these organisms.

  3. ANALYSIS OF INPATIENT HOSPITAL STAFF MENTAL WORKLOAD BY MEANS OF DISCRETE-EVENT SIMULATION

    2016-03-24

    ANALYSIS OF INPATIENT HOSPITAL STAFF MENTAL WORKLOAD BY MEANS OF DISCRETE -EVENT SIMULATION...in the United States. AFIT-ENV-MS-16-M-166 ANALYSIS OF INPATIENT HOSPITAL STAFF MENTAL WORKLOAD BY MEANS OF DISCRETE -EVENT SIMULATION...UNLIMITED. AFIT-ENV-MS-16-M-166 ANALYSIS OF INPATIENT HOSPITAL STAFF MENTAL WORKLOAD BY MEANS OF DISCRETE -EVENT SIMULATION Erich W

  4. Discrete mathematics with applications

    Koshy, Thomas

    2003-01-01

    This approachable text studies discrete objects and the relationsips that bind them. It helps students understand and apply the power of discrete math to digital computer systems and other modern applications. It provides excellent preparation for courses in linear algebra, number theory, and modern/abstract algebra and for computer science courses in data structures, algorithms, programming languages, compilers, databases, and computation.* Covers all recommended topics in a self-contained, comprehensive, and understandable format for students and new professionals * Emphasizes problem-solving techniques, pattern recognition, conjecturing, induction, applications of varying nature, proof techniques, algorithm development and correctness, and numeric computations* Weaves numerous applications into the text* Helps students learn by doing with a wealth of examples and exercises: - 560 examples worked out in detail - More than 3,700 exercises - More than 150 computer assignments - More than 600 writing projects*...

  5. Discrete and computational geometry

    Devadoss, Satyan L

    2011-01-01

    Discrete geometry is a relatively new development in pure mathematics, while computational geometry is an emerging area in applications-driven computer science. Their intermingling has yielded exciting advances in recent years, yet what has been lacking until now is an undergraduate textbook that bridges the gap between the two. Discrete and Computational Geometry offers a comprehensive yet accessible introduction to this cutting-edge frontier of mathematics and computer science. This book covers traditional topics such as convex hulls, triangulations, and Voronoi diagrams, as well as more recent subjects like pseudotriangulations, curve reconstruction, and locked chains. It also touches on more advanced material, including Dehn invariants, associahedra, quasigeodesics, Morse theory, and the recent resolution of the Poincaré conjecture. Connections to real-world applications are made throughout, and algorithms are presented independently of any programming language. This richly illustrated textbook also fe...

  6. Lectures on discrete geometry

    2002-01-01

    Discrete geometry investigates combinatorial properties of configurations of geometric objects. To a working mathematician or computer scientist, it offers sophisticated results and techniques of great diversity and it is a foundation for fields such as computational geometry or combinatorial optimization. This book is primarily a textbook introduction to various areas of discrete geometry. In each area, it explains several key results and methods, in an accessible and concrete manner. It also contains more advanced material in separate sections and thus it can serve as a collection of surveys in several narrower subfields. The main topics include: basics on convex sets, convex polytopes, and hyperplane arrangements; combinatorial complexity of geometric configurations; intersection patterns and transversals of convex sets; geometric Ramsey-type results; polyhedral combinatorics and high-dimensional convexity; and lastly, embeddings of finite metric spaces into normed spaces. Jiri Matousek is Professor of Com...

  7. Time Discretization Techniques

    Gottlieb, S.

    2016-10-12

    The time discretization of hyperbolic partial differential equations is typically the evolution of a system of ordinary differential equations obtained by spatial discretization of the original problem. Methods for this time evolution include multistep, multistage, or multiderivative methods, as well as a combination of these approaches. The time step constraint is mainly a result of the absolute stability requirement, as well as additional conditions that mimic physical properties of the solution, such as positivity or total variation stability. These conditions may be required for stability when the solution develops shocks or sharp gradients. This chapter contains a review of some of the methods historically used for the evolution of hyperbolic PDEs, as well as cutting edge methods that are now commonly used.

  8. Discrete pseudo-integrals

    Mesiar, Radko; Li, J.; Pap, E.

    2013-01-01

    Roč. 54, č. 3 (2013), s. 357-364 ISSN 0888-613X R&D Projects: GA ČR GAP402/11/0378 Institutional support: RVO:67985556 Keywords : concave integral * pseudo-addition * pseudo-multiplication Subject RIV: BA - General Mathematics Impact factor: 1.977, year: 2013 http://library.utia.cas.cz/separaty/2013/E/mesiar-discrete pseudo-integrals.pdf

  9. Discrete variational Hamiltonian mechanics

    Lall, S; West, M

    2006-01-01

    The main contribution of this paper is to present a canonical choice of a Hamiltonian theory corresponding to the theory of discrete Lagrangian mechanics. We make use of Lagrange duality and follow a path parallel to that used for construction of the Pontryagin principle in optimal control theory. We use duality results regarding sensitivity and separability to show the relationship between generating functions and symplectic integrators. We also discuss connections to optimal control theory and numerical algorithms

  10. Discrete Routh reduction

    Jalnapurkar, Sameer M; Leok, Melvin; Marsden, Jerrold E; West, Matthew

    2006-01-01

    This paper develops the theory of Abelian Routh reduction for discrete mechanical systems and applies it to the variational integration of mechanical systems with Abelian symmetry. The reduction of variational Runge-Kutta discretizations is considered, as well as the extent to which symmetry reduction and discretization commute. These reduced methods allow the direct simulation of dynamical features such as relative equilibria and relative periodic orbits that can be obscured or difficult to identify in the unreduced dynamics. The methods are demonstrated for the dynamics of an Earth orbiting satellite with a non-spherical J 2 correction, as well as the double spherical pendulum. The J 2 problem is interesting because in the unreduced picture, geometric phases inherent in the model and those due to numerical discretization can be hard to distinguish, but this issue does not appear in the reduced algorithm, where one can directly observe interesting dynamical structures in the reduced phase space (the cotangent bundle of shape space), in which the geometric phases have been removed. The main feature of the double spherical pendulum example is that it has a non-trivial magnetic term in its reduced symplectic form. Our method is still efficient as it can directly handle the essential non-canonical nature of the symplectic structure. In contrast, a traditional symplectic method for canonical systems could require repeated coordinate changes if one is evoking Darboux' theorem to transform the symplectic structure into canonical form, thereby incurring additional computational cost. Our method allows one to design reduced symplectic integrators in a natural way, despite the non-canonical nature of the symplectic structure

  11. Ultrafast excited-state relaxation of a binuclear Ag(i) phosphine complex in gas phase and solution.

    Kruppa, S V; Bäppler, F; Klopper, W; Walg, S P; Thiel, W R; Diller, R; Riehn, C

    2017-08-30

    The binuclear complex [Ag 2 (dcpm) 2 ](PF 6 ) 2 (dcpm = bis(dicyclohexylphosphino)methane) exhibits a structure with a close silver-silver contact mediated by the bridging ligand and thus a weak argentophilic interaction. Upon electronic excitation this cooperative effect is strongly increased and determines the optical and luminescence properties of the compound. We have studied here the ultrafast electronic dynamics in parallel in gas phase by transient photodissociation and in solution by transient absorption. In particular, we report the diverse photofragmentation pathways of isolated [Ag 2 (dcpm) 2 ] 2+ in an ion trap and its gas phase UV photodissociation spectrum. By pump-probe fragmentation action spectroscopy (λ ex = 260 nm) in the gas phase, we have obtained fragment-specific transients which exhibit a common ultrafast multiexponential decay. This is fitted to four time constants (0.6/5.8/100/>1000 ps), highlighting complex intrinsic photophysical processes. Remarkably, multiexponential dynamics (0.9/8.5/73/604 ps) are as well found for the relaxation dynamics in acetonitrile solution. Ab initio calculations at the level of approximate coupled-cluster singles-doubles (CC2) theory of ground and electronically excited states of the reduced model system [Ag 2 (dmpm) 2 ] 2+ (dmpm = bis(dimethylphosphino)methane) indicate a shortening of the Ag-Ag distance upon excitation by 0.3-0.4 Å. In C 2 geometry two close-lying singlet states S 1 ( 1 MC(dσ*-pπ), 1 B, 4.13 eV) and S 2 ( 1 MC(dσ*-pσ), 1 A, 4.45 eV) are found. The nearly dark S 1 state has not been reported so far. The excitation of the S 2 state carries a large oscillator strength for the calculated vertical transition (266 nm). Two related triplets are calculated at T 1 (3.87 eV) and T 2 (3.90 eV). From these findings we suggest possible relaxation pathways with the two short time constants ascribed to ISC/IVR and propose from the obtained similar values in gas phase that the fast solution dynamics

  12. Discrete port-Hamiltonian systems

    Talasila, V.; Clemente-Gallardo, J.; Schaft, A.J. van der

    2006-01-01

    Either from a control theoretic viewpoint or from an analysis viewpoint it is necessary to convert smooth systems to discrete systems, which can then be implemented on computers for numerical simulations. Discrete models can be obtained either by discretizing a smooth model, or by directly modeling

  13. A paradigm for discrete physics

    Noyes, H.P.; McGoveran, D.; Etter, T.; Manthey, M.J.; Gefwert, C.

    1987-01-01

    An example is outlined for constructing a discrete physics using as a starting point the insight from quantum physics that events are discrete, indivisible and non-local. Initial postulates are finiteness, discreteness, finite computability, absolute nonuniqueness (i.e., homogeneity in the absence of specific cause) and additivity

  14. Spectral sensitization of SrTiO3 photoanodes with binuclear 1,10-phenanthroline bis(2,2'-bipyridine) complexes of ruthenium(II) and tris(2,2'-bipyridine) ruthenium(II)

    Tinnemans, A.H.A.; Mackor, A.

    1981-01-01

    A single crystal of strontium titanate, used as a photoanode for the photoelectrolysis of water, has been sensitized by mono‐ and binuclear ruthenium(II) complexes in acidic solution for visible light. The dependence of the photocurrent density on light intensity, dye concentration, wavelength and

  15. Two new discrete integrable systems

    Chen Xiao-Hong; Zhang Hong-Qing

    2013-01-01

    In this paper, we focus on the construction of new (1+1)-dimensional discrete integrable systems according to a subalgebra of loop algebra à 1 . By designing two new (1+1)-dimensional discrete spectral problems, two new discrete integrable systems are obtained, namely, a 2-field lattice hierarchy and a 3-field lattice hierarchy. When deriving the two new discrete integrable systems, we find the generalized relativistic Toda lattice hierarchy and the generalized modified Toda lattice hierarchy. Moreover, we also obtain the Hamiltonian structures of the two lattice hierarchies by means of the discrete trace identity

  16. Discrete dark matter

    Hirsch, M; Peinado, E; Valle, J W F

    2010-01-01

    We propose a new motivation for the stability of dark matter (DM). We suggest that the same non-abelian discrete flavor symmetry which accounts for the observed pattern of neutrino oscillations, spontaneously breaks to a Z2 subgroup which renders DM stable. The simplest scheme leads to a scalar doublet DM potentially detectable in nuclear recoil experiments, inverse neutrino mass hierarchy, hence a neutrinoless double beta decay rate accessible to upcoming searches, while reactor angle equal to zero gives no CP violation in neutrino oscillations.

  17. Discrete Dynamics Lab

    Wuensche, Andrew

    DDLab is interactive graphics software for creating, visualizing, and analyzing many aspects of Cellular Automata, Random Boolean Networks, and Discrete Dynamical Networks in general and studying their behavior, both from the time-series perspective — space-time patterns, and from the state-space perspective — attractor basins. DDLab is relevant to research, applications, and education in the fields of complexity, self-organization, emergent phenomena, chaos, collision-based computing, neural networks, content addressable memory, genetic regulatory networks, dynamical encryption, generative art and music, and the study of the abstract mathematical/physical/dynamical phenomena in their own right.

  18. Time-delay analyzer with continuous discretization

    Bayatyan, G.L.; Darbinyan, K.T.; Mkrtchyan, K.K.; Stepanyan, S.S.

    1988-01-01

    A time-delay analyzer is described which when triggered by a start pulse of adjustable duration performs continuous discretization of the analyzed signal within nearly 22 ns time intervals, the recording in a memory unit with following slow read-out of the information to the computer and its processing. The time-delay analyzer consists of four CAMAC-VECTOR systems of unit width. With its help one can separate comparatively short, small-amplitude rare signals against the background of quasistationary noise processes. 4 refs.; 3 figs

  19. Finite discrete field theory

    Souza, Manoelito M. de

    1997-01-01

    We discuss the physical meaning and the geometric interpretation of implementation in classical field theories. The origin of infinities and other inconsistencies in field theories is traced to fields defined with support on the light cone; a finite and consistent field theory requires a light-cone generator as the field support. Then, we introduce a classical field theory with support on the light cone generators. It results on a description of discrete (point-like) interactions in terms of localized particle-like fields. We find the propagators of these particle-like fields and discuss their physical meaning, properties and consequences. They are conformally invariant, singularity-free, and describing a manifestly covariant (1 + 1)-dimensional dynamics in a (3 = 1) spacetime. Remarkably this conformal symmetry remains even for the propagation of a massive field in four spacetime dimensions. We apply this formalism to Classical electrodynamics and to the General Relativity Theory. The standard formalism with its distributed fields is retrieved in terms of spacetime average of the discrete field. Singularities are the by-products of the averaging process. This new formalism enlighten the meaning and the problem of field theory, and may allow a softer transition to a quantum theory. (author)

  20. Discrete Exterior Calculus Discretization of Incompressible Navier-Stokes Equations

    Mohamed, Mamdouh S.

    2017-05-23

    A conservative discretization of incompressible Navier-Stokes equations over surface simplicial meshes is developed using discrete exterior calculus (DEC). Numerical experiments for flows over surfaces reveal a second order accuracy for the developed scheme when using structured-triangular meshes, and first order accuracy otherwise. The mimetic character of many of the DEC operators provides exact conservation of both mass and vorticity, in addition to superior kinetic energy conservation. The employment of barycentric Hodge star allows the discretization to admit arbitrary simplicial meshes. The discretization scheme is presented along with various numerical test cases demonstrating its main characteristics.

  1. Superhalogen properties of hetero-binuclear anions MM‧F4- and MM″F5- (M = Li, Na, M‧ = Be, Mg, Ca; M″ = B, Al, Ga)

    Yang, Hui; Li, Ying; He, Hui-Min; Tong, Jing; Wu, Di; Li, Zhi-Ru

    2017-09-01

    Hetero-binuclear superhalogen anions, namely MM‧F4- and MM″F5- (M = Li, Na; M‧ = Be, Mg, Ca; M″ = B, Al, Ga), have been theoretically characterized at the MP2(FULL)/6-311+G(3df) level. It is found that two central atoms can be linked by at most three fluorine ligands. The large vertical electron detachment energies (VDEs, 7.449-8.978 eV) verify the superhalogen identity of these anions. The VDEs of both MM‧F4- and MM″F5- decrease when the atomic size of M increases whereas increase with the size of M‧ and M″. Besides, the extra electron distribution also has effect on the VDEs of such superhalogen anions.

  2. Advances in discrete differential geometry

    2016-01-01

    This is one of the first books on a newly emerging field of discrete differential geometry and an excellent way to access this exciting area. It surveys the fascinating connections between discrete models in differential geometry and complex analysis, integrable systems and applications in computer graphics. The authors take a closer look at discrete models in differential geometry and dynamical systems. Their curves are polygonal, surfaces are made from triangles and quadrilaterals, and time is discrete. Nevertheless, the difference between the corresponding smooth curves, surfaces and classical dynamical systems with continuous time can hardly be seen. This is the paradigm of structure-preserving discretizations. Current advances in this field are stimulated to a large extent by its relevance for computer graphics and mathematical physics. This book is written by specialists working together on a common research project. It is about differential geometry and dynamical systems, smooth and discrete theories, ...

  3. Poisson hierarchy of discrete strings

    Ioannidou, Theodora; Niemi, Antti J.

    2016-01-01

    The Poisson geometry of a discrete string in three dimensional Euclidean space is investigated. For this the Frenet frames are converted into a spinorial representation, the discrete spinor Frenet equation is interpreted in terms of a transfer matrix formalism, and Poisson brackets are introduced in terms of the spinor components. The construction is then generalised, in a self-similar manner, into an infinite hierarchy of Poisson algebras. As an example, the classical Virasoro (Witt) algebra that determines reparametrisation diffeomorphism along a continuous string, is identified as a particular sub-algebra, in the hierarchy of the discrete string Poisson algebra. - Highlights: • Witt (classical Virasoro) algebra is derived in the case of discrete string. • Infinite dimensional hierarchy of Poisson bracket algebras is constructed for discrete strings. • Spinor representation of discrete Frenet equations is developed.

  4. Poisson hierarchy of discrete strings

    Ioannidou, Theodora, E-mail: ti3@auth.gr [Faculty of Civil Engineering, School of Engineering, Aristotle University of Thessaloniki, 54249, Thessaloniki (Greece); Niemi, Antti J., E-mail: Antti.Niemi@physics.uu.se [Department of Physics and Astronomy, Uppsala University, P.O. Box 803, S-75108, Uppsala (Sweden); Laboratoire de Mathematiques et Physique Theorique CNRS UMR 6083, Fédération Denis Poisson, Université de Tours, Parc de Grandmont, F37200, Tours (France); Department of Physics, Beijing Institute of Technology, Haidian District, Beijing 100081 (China)

    2016-01-28

    The Poisson geometry of a discrete string in three dimensional Euclidean space is investigated. For this the Frenet frames are converted into a spinorial representation, the discrete spinor Frenet equation is interpreted in terms of a transfer matrix formalism, and Poisson brackets are introduced in terms of the spinor components. The construction is then generalised, in a self-similar manner, into an infinite hierarchy of Poisson algebras. As an example, the classical Virasoro (Witt) algebra that determines reparametrisation diffeomorphism along a continuous string, is identified as a particular sub-algebra, in the hierarchy of the discrete string Poisson algebra. - Highlights: • Witt (classical Virasoro) algebra is derived in the case of discrete string. • Infinite dimensional hierarchy of Poisson bracket algebras is constructed for discrete strings. • Spinor representation of discrete Frenet equations is developed.

  5. Principles of discrete time mechanics

    Jaroszkiewicz, George

    2014-01-01

    Could time be discrete on some unimaginably small scale? Exploring the idea in depth, this unique introduction to discrete time mechanics systematically builds the theory up from scratch, beginning with the historical, physical and mathematical background to the chronon hypothesis. Covering classical and quantum discrete time mechanics, this book presents all the tools needed to formulate and develop applications of discrete time mechanics in a number of areas, including spreadsheet mechanics, classical and quantum register mechanics, and classical and quantum mechanics and field theories. A consistent emphasis on contextuality and the observer-system relationship is maintained throughout.

  6. Dark discrete gauge symmetries

    Batell, Brian

    2011-01-01

    We investigate scenarios in which dark matter is stabilized by an Abelian Z N discrete gauge symmetry. Models are surveyed according to symmetries and matter content. Multicomponent dark matter arises when N is not prime and Z N contains one or more subgroups. The dark sector interacts with the visible sector through the renormalizable kinetic mixing and Higgs portal operators, and we highlight the basic phenomenology in these scenarios. In particular, multiple species of dark matter can lead to an unconventional nuclear recoil spectrum in direct detection experiments, while the presence of new light states in the dark sector can dramatically affect the decays of the Higgs at the Tevatron and LHC, thus providing a window into the gauge origin of the stability of dark matter.

  7. Discrete anti-gravity

    Noyes, H.P.; Starson, S.

    1991-03-01

    Discrete physics, because it replaces time evolution generated by the energy operator with a global bit-string generator (program universe) and replaces ''fields'' with the relativistic Wheeler-Feynman ''action at a distance,'' allows the consistent formulation of the concept of signed gravitational charge for massive particles. The resulting prediction made by this version of the theory is that free anti-particles near the surface of the earth will ''fall'' up with the same acceleration that the corresponding particles fall down. So far as we can see, no current experimental information is in conflict with this prediction of our theory. The experiment crusis will be one of the anti-proton or anti-hydrogen experiments at CERN. Our prediction should be much easier to test than the small effects which those experiments are currently designed to detect or bound. 23 refs

  8. Control of Discrete Event Systems

    Smedinga, Rein

    1989-01-01

    Systemen met discrete gebeurtenissen spelen in vele gebieden een rol. In dit proefschrift staat de volgorde van gebeurtenissen centraal en worden tijdsaspecten buiten beschouwing gelaten. In dat geval kunnen systemen met discrete gebeurtenissen goed worden gemodelleerd door gebruik te maken van

  9. Discrete Mathematics and Its Applications

    Oxley, Alan

    2010-01-01

    The article gives ideas that lecturers of undergraduate Discrete Mathematics courses can use in order to make the subject more interesting for students and encourage them to undertake further studies in the subject. It is possible to teach Discrete Mathematics with little or no reference to computing. However, students are more likely to be…

  10. Discrete Mathematics and Curriculum Reform.

    Kenney, Margaret J.

    1996-01-01

    Defines discrete mathematics as the mathematics necessary to effect reasoned decision making in finite situations and explains how its use supports the current view of mathematics education. Discrete mathematics can be used by curriculum developers to improve the curriculum for students of all ages and abilities. (SLD)

  11. Connections on discrete fibre bundles

    Manton, N.S.; Cambridge Univ.

    1987-01-01

    A new approach to gauge fields on a discrete space-time is proposed, in which the fundamental object is a discrete version of a principal fibre bundle. If the bundle is twisted, the gauge fields are topologically non-trivial automatically. (orig.)

  12. Discrete dynamics versus analytic dynamics

    Toxværd, Søren

    2014-01-01

    For discrete classical Molecular dynamics obtained by the “Verlet” algorithm (VA) with the time increment h there exists a shadow Hamiltonian H˜ with energy E˜(h) , for which the discrete particle positions lie on the analytic trajectories for H˜ . Here, we proof that there, independent...... of such an analytic analogy, exists an exact hidden energy invariance E * for VA dynamics. The fact that the discrete VA dynamics has the same invariances as Newtonian dynamics raises the question, which of the formulations that are correct, or alternatively, the most appropriate formulation of classical dynamics....... In this context the relation between the discrete VA dynamics and the (general) discrete dynamics investigated by Lee [Phys. Lett. B122, 217 (1983)] is presented and discussed....

  13. Modern approaches to discrete curvature

    Romon, Pascal

    2017-01-01

     This book provides a valuable glimpse into discrete curvature, a rich new field of research which blends discrete mathematics, differential geometry, probability and computer graphics. It includes a vast collection of ideas and tools which will offer something new to all interested readers. Discrete geometry has arisen as much as a theoretical development as in response to unforeseen challenges coming from applications. Discrete and continuous geometries have turned out to be intimately connected. Discrete curvature is the key concept connecting them through many bridges in numerous fields: metric spaces, Riemannian and Euclidean geometries, geometric measure theory, topology, partial differential equations, calculus of variations, gradient flows, asymptotic analysis, probability, harmonic analysis, graph theory, etc. In spite of its crucial importance both in theoretical mathematics and in applications, up to now, almost no books have provided a coherent outlook on this emerging field.

  14. Discretion and Disproportionality

    Jason A. Grissom

    2015-12-01

    Full Text Available Students of color are underrepresented in gifted programs relative to White students, but the reasons for this underrepresentation are poorly understood. We investigate the predictors of gifted assignment using nationally representative, longitudinal data on elementary students. We document that even among students with high standardized test scores, Black students are less likely to be assigned to gifted services in both math and reading, a pattern that persists when controlling for other background factors, such as health and socioeconomic status, and characteristics of classrooms and schools. We then investigate the role of teacher discretion, leveraging research from political science suggesting that clients of government services from traditionally underrepresented groups benefit from diversity in the providers of those services, including teachers. Even after conditioning on test scores and other factors, Black students indeed are referred to gifted programs, particularly in reading, at significantly lower rates when taught by non-Black teachers, a concerning result given the relatively low incidence of assignment to own-race teachers among Black students.

  15. Discrete Planck spectra

    Vlad, Valentin I.; Ionescu-Pallas, Nicholas

    2000-10-01

    The Planck radiation spectrum of ideal cubic and spherical cavities, in the region of small adiabatic invariance, γ = TV 1/3 , is shown to be discrete and strongly dependent on the cavity geometry and temperature. This behavior is the consequence of the random distribution of the state weights in the cubic cavity and of the random overlapping of the successive multiplet components, for the spherical cavity. The total energy (obtained by summing up the exact contributions of the eigenvalues and their weights, for low values of the adiabatic invariance) does not obey any longer Stefan-Boltzmann law. The new law includes a corrective factor depending on γ and imposes a faster decrease of the total energy to zero, for γ → 0. We have defined the double quantized regime both for cubic and spherical cavities by the superior and inferior limits put on the principal quantum numbers or the adiabatic invariance. The total energy of the double quantized cavities shows large differences from the classical calculations over unexpected large intervals, which are measurable and put in evidence important macroscopic quantum effects. (author)

  16. Physical models on discrete space and time

    Lorente, M.

    1986-01-01

    The idea of space and time quantum operators with a discrete spectrum has been proposed frequently since the discovery that some physical quantities exhibit measured values that are multiples of fundamental units. This paper first reviews a number of these physical models. They are: the method of finite elements proposed by Bender et al; the quantum field theory model on discrete space-time proposed by Yamamoto; the finite dimensional quantum mechanics approach proposed by Santhanam et al; the idea of space-time as lattices of n-simplices proposed by Kaplunovsky et al; and the theory of elementary processes proposed by Weizsaecker and his colleagues. The paper then presents a model proposed by the authors and based on the (n+1)-dimensional space-time lattice where fundamental entities interact among themselves 1 to 2n in order to build up a n-dimensional cubic lattice as a ground field where the physical interactions take place. The space-time coordinates are nothing more than the labelling of the ground field and take only discrete values. 11 references

  17. Entropic Phase Maps in Discrete Quantum Gravity

    Benjamin F. Dribus

    2017-06-01

    Full Text Available Path summation offers a flexible general approach to quantum theory, including quantum gravity. In the latter setting, summation is performed over a space of evolutionary pathways in a history configuration space. Discrete causal histories called acyclic directed sets offer certain advantages over similar models appearing in the literature, such as causal sets. Path summation defined in terms of these histories enables derivation of discrete Schrödinger-type equations describing quantum spacetime dynamics for any suitable choice of algebraic quantities associated with each evolutionary pathway. These quantities, called phases, collectively define a phase map from the space of evolutionary pathways to a target object, such as the unit circle S 1 ⊂ C , or an analogue such as S 3 or S 7 . This paper explores the problem of identifying suitable phase maps for discrete quantum gravity, focusing on a class of S 1 -valued maps defined in terms of “structural increments” of histories, called terminal states. Invariants such as state automorphism groups determine multiplicities of states, and induce families of natural entropy functions. A phase map defined in terms of such a function is called an entropic phase map. The associated dynamical law may be viewed as an abstract combination of Schrödinger’s equation and the second law of thermodynamics.

  18. Synthesis and spectral characterization of mono- and binuclear copper(II) complexes derived from 2-benzoylpyridine-N4-methyl-3-thiosemicarbazone: Crystal structure of a novel sulfur bridged copper(II) box-dimer

    Jayakumar, K.; Sithambaresan, M.; Aiswarya, N.; Kurup, M. R. Prathapachandra

    2015-03-01

    Mononuclear and binuclear copper(II) complexes of 2-benzoylpyridine-N4-methyl thiosemicarbazone (HL) were prepared and characterized by a variety of spectroscopic techniques. Structural evidence for the novel sulfur bridged copper(II) iodo binuclear complex is obtained by single crystal X-ray diffraction analysis. The complex [Cu2L2I2], a non-centrosymmetric box dimer, crystallizes in monoclinic C2/c space group and it was found to have distorted square pyramidal geometry (Addison parameter, τ = 0.238) with the square basal plane occupied by the thiosemicarbazone moiety and iodine atom whereas the sulfur atom from the other coordinated thiosemicarbazone moiety occupies the apical position. This is the first crystallographically studied system having non-centrosymmetrical entities bridged via thiolate S atoms with Cu(II)sbnd I bond. The tridentate thiosemicarbazone coordinates in mono deprotonated thionic tautomeric form in all complexes except in sulfato complex, [Cu(HL)(SO4)]·H2O (1) where it binds to the metal centre in neutral form. The magnetic moment values and the EPR spectral studies reflect the binuclearity of some of the complexes. The spin Hamiltonian and bonding parameters are calculated based on EPR studies. In all the complexes g|| > g⊥ > 2.0023 and the g values in frozen DMF are consistent with the dx2-y2 ground state. The thermal stabilities of some of the complexes were also determined.

  19. Synthesis and spectral characterization of mono- and binuclear copper(II) complexes derived from 2-benzoylpyridine-N⁴-methyl-3-thiosemicarbazone: crystal structure of a novel sulfur bridged copper(II) box-dimer.

    Jayakumar, K; Sithambaresan, M; Aiswarya, N; Kurup, M R Prathapachandra

    2015-03-15

    Mononuclear and binuclear copper(II) complexes of 2-benzoylpyridine-N(4)-methyl thiosemicarbazone (HL) were prepared and characterized by a variety of spectroscopic techniques. Structural evidence for the novel sulfur bridged copper(II) iodo binuclear complex is obtained by single crystal X-ray diffraction analysis. The complex [Cu2L2I2], a non-centrosymmetric box dimer, crystallizes in monoclinic C2/c space group and it was found to have distorted square pyramidal geometry (Addison parameter, τ=0.238) with the square basal plane occupied by the thiosemicarbazone moiety and iodine atom whereas the sulfur atom from the other coordinated thiosemicarbazone moiety occupies the apical position. This is the first crystallographically studied system having non-centrosymmetrical entities bridged via thiolate S atoms with Cu(II)I bond. The tridentate thiosemicarbazone coordinates in mono deprotonated thionic tautomeric form in all complexes except in sulfato complex, [Cu(HL)(SO4)]·H2O (1) where it binds to the metal centre in neutral form. The magnetic moment values and the EPR spectral studies reflect the binuclearity of some of the complexes. The spin Hamiltonian and bonding parameters are calculated based on EPR studies. In all the complexes g||>g⊥>2.0023 and the g values in frozen DMF are consistent with the d(x2-y2) ground state. The thermal stabilities of some of the complexes were also determined. Copyright © 2014 Elsevier B.V. All rights reserved.

  20. Perfect discretization of path integrals

    Steinhaus, Sebastian

    2012-01-01

    In order to obtain a well-defined path integral one often employs discretizations. In the case of General Relativity these generically break diffeomorphism symmetry, which has severe consequences since these symmetries determine the dynamics of the corresponding system. In this article we consider the path integral of reparametrization invariant systems as a toy example and present an improvement procedure for the discretized propagator. Fixed points and convergence of the procedure are discussed. Furthermore we show that a reparametrization invariant path integral implies discretization independence and acts as a projector onto physical states.

  1. Perfect discretization of path integrals

    Steinhaus, Sebastian

    2012-05-01

    In order to obtain a well-defined path integral one often employs discretizations. In the case of General Relativity these generically break diffeomorphism symmetry, which has severe consequences since these symmetries determine the dynamics of the corresponding system. In this article we consider the path integral of reparametrization invariant systems as a toy example and present an improvement procedure for the discretized propagator. Fixed points and convergence of the procedure are discussed. Furthermore we show that a reparametrization invariant path integral implies discretization independence and acts as a projector onto physical states.

  2. The origin of discrete particles

    Bastin, T

    2009-01-01

    This book is a unique summary of the results of a long research project undertaken by the authors on discreteness in modern physics. In contrast with the usual expectation that discreteness is the result of mathematical tools for insertion into a continuous theory, this more basic treatment builds up the world from the discrimination of discrete entities. This gives an algebraic structure in which certain fixed numbers arise. As such, one agrees with the measured value of the fine-structure constant to one part in 10,000,000 (10 7 ). Sample Chapter(s). Foreword (56 KB). Chapter 1: Introduction

  3. Synchronization Techniques in Parallel Discrete Event Simulation

    Lindén, Jonatan

    2018-01-01

    Discrete event simulation is an important tool for evaluating system models in many fields of science and engineering. To improve the performance of large-scale discrete event simulations, several techniques to parallelize discrete event simulation have been developed. In parallel discrete event simulation, the work of a single discrete event simulation is distributed over multiple processing elements. A key challenge in parallel discrete event simulation is to ensure that causally dependent ...

  4. 3-D Discrete Analytical Ridgelet Transform

    Helbert , David; Carré , Philippe; Andrès , Éric

    2006-01-01

    International audience; In this paper, we propose an implementation of the 3-D Ridgelet transform: the 3-D discrete analytical Ridgelet transform (3-D DART). This transform uses the Fourier strategy for the computation of the associated 3-D discrete Radon transform. The innovative step is the definition of a discrete 3-D transform with the discrete analytical geometry theory by the construction of 3-D discrete analytical lines in the Fourier domain. We propose two types of 3-D discrete lines:...

  5. Exact analysis of discrete data

    Hirji, Karim F

    2005-01-01

    Researchers in fields ranging from biology and medicine to the social sciences, law, and economics regularly encounter variables that are discrete or categorical in nature. While there is no dearth of books on the analysis and interpretation of such data, these generally focus on large sample methods. When sample sizes are not large or the data are otherwise sparse, exact methods--methods not based on asymptotic theory--are more accurate and therefore preferable.This book introduces the statistical theory, analysis methods, and computation techniques for exact analysis of discrete data. After reviewing the relevant discrete distributions, the author develops the exact methods from the ground up in a conceptually integrated manner. The topics covered range from univariate discrete data analysis, a single and several 2 x 2 tables, a single and several 2 x K tables, incidence density and inverse sampling designs, unmatched and matched case -control studies, paired binary and trinomial response models, and Markov...

  6. Discrete geometric structures for architecture

    Pottmann, Helmut

    2010-01-01

    . The talk will provide an overview of recent progress in this field, with a particular focus on discrete geometric structures. Most of these result from practical requirements on segmenting a freeform shape into planar panels and on the physical realization

  7. Causal Dynamics of Discrete Surfaces

    Pablo Arrighi

    2014-03-01

    Full Text Available We formalize the intuitive idea of a labelled discrete surface which evolves in time, subject to two natural constraints: the evolution does not propagate information too fast; and it acts everywhere the same.

  8. Perfect discretization of path integrals

    Steinhaus, Sebastian

    2011-01-01

    In order to obtain a well-defined path integral one often employs discretizations. In the case of General Relativity these generically break diffeomorphism symmetry, which has severe consequences since these symmetries determine the dynamics of the corresponding system. In this article we consider the path integral of reparametrization invariant systems as a toy example and present an improvement procedure for the discretized propagator. Fixed points and convergence of the procedure are discu...

  9. Applied discrete-time queues

    Alfa, Attahiru S

    2016-01-01

    This book introduces the theoretical fundamentals for modeling queues in discrete-time, and the basic procedures for developing queuing models in discrete-time. There is a focus on applications in modern telecommunication systems. It presents how most queueing models in discrete-time can be set up as discrete-time Markov chains. Techniques such as matrix-analytic methods (MAM) that can used to analyze the resulting Markov chains are included. This book covers single node systems, tandem system and queueing networks. It shows how queues with time-varying parameters can be analyzed, and illustrates numerical issues associated with computations for the discrete-time queueing systems. Optimal control of queues is also covered. Applied Discrete-Time Queues targets researchers, advanced-level students and analysts in the field of telecommunication networks. It is suitable as a reference book and can also be used as a secondary text book in computer engineering and computer science. Examples and exercises are includ...

  10. DNA-binding, catalytic oxidation, C—C coupling reactions and antibacterial activities of binuclear Ru(II thiosemicarbazone complexes: Synthesis and spectral characterization

    Arumugam Manimaran

    2012-07-01

    Full Text Available New hexa-coordinated binuclear Ru(II thiosemicarbazone complexes of the type {[(B(EPh3(COClRu]2L} (where, E = P or As; B = PPh3 or AsPh3 or pyridine; L = mononucleating NS donor of N-substituted thiosemicarbazones have been synthesized and characterized by elemental analysis, FT-IR, UV–vis and 31P{1H} NMR cyclic voltammetric studies. The DNA-binding studies of Ru(II complexes with calf thymus DNA (CT-DNA were investigated by UV–vis, viscosity measurements, gel-electrophoresis and fluorescence spectroscopy. The new complexes have been used as catalysts in C—C coupling reaction and in the oxidation of alcohols to their corresponding carbonyl compounds by using NMO as co-oxidant and molecular oxygen (O2 atmosphere at ambient temperature. Further, the new binucleating thiosemicarbazone ligands and their Ru(II complexes were also screened for their antibacterial activity against Klebsiella pneumoniae, Shigella sp., Micrococcus luteus, Escherichia coli and Salmonella typhi. From this study, it was found out that the activity of the complexes almost reaches the effectiveness of the conventional bacteriocide.

  11. Robust binding between carbon nitride nanosheets and a binuclear ruthenium(II) complex enabling durable, selective CO{sub 2} reduction under visible light in aqueous solution

    Kuriki, Ryo; Ishitani, Osamu; Maeda, Kazuhiko [Department of Chemistry, School of Science, Tokyo Institute of Technology (Japan); Yamamoto, Muneaki; Yoshida, Tomoko [Advanced Research Institute for Natural Science and Technology, Osaka City University (Japan); Higuchi, Kimitaka; Yamamoto, Yuta; Akatsuka, Masato; Yagi, Shinya [Institute of Materials and Systems for Sustainability, Nagoya University (Japan); Lu, Daling [Suzukakedai Materials Analysis Division, Technical Department, Tokyo Institute of Technology, Yokohama (Japan)

    2017-04-18

    Carbon nitride nanosheets (NS-C{sub 3}N{sub 4}) were found to undergo robust binding with a binuclear ruthenium(II) complex (RuRu') even in basic aqueous solution. A hybrid material consisting of NS-C{sub 3}N{sub 4} (further modified with nanoparticulate Ag) and RuRu' promoted the photocatalytic reduction of CO{sub 2} to formate in aqueous media, in conjunction with high selectivity (approximately 98 %) and a good turnover number (>2000 with respect to the loaded Ru complex). These represent the highest values yet reported for a powder-based photocatalytic system during CO{sub 2} reduction under visible light in an aqueous environment. We also assessed the desorption of RuRu' from the Ag/C{sub 3}N{sub 4} surface, a factor that can contribute to a loss of activity. It was determined that desorption is not induced by salt additives, pH changes, or photoirradiation, which partly explains the high photocatalytic performance of this material. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  12. Discrete Curvature Theories and Applications

    Sun, Xiang

    2016-08-25

    Discrete Di erential Geometry (DDG) concerns discrete counterparts of notions and methods in di erential geometry. This thesis deals with a core subject in DDG, discrete curvature theories on various types of polyhedral surfaces that are practically important for free-form architecture, sunlight-redirecting shading systems, and face recognition. Modeled as polyhedral surfaces, the shapes of free-form structures may have to satisfy di erent geometric or physical constraints. We study a combination of geometry and physics { the discrete surfaces that can stand on their own, as well as having proper shapes for the manufacture. These proper shapes, known as circular and conical meshes, are closely related to discrete principal curvatures. We study curvature theories that make such surfaces possible. Shading systems of freeform building skins are new types of energy-saving structures that can re-direct the sunlight. From these systems, discrete line congruences across polyhedral surfaces can be abstracted. We develop a new curvature theory for polyhedral surfaces equipped with normal congruences { a particular type of congruences de ned by linear interpolation of vertex normals. The main results are a discussion of various de nitions of normality, a detailed study of the geometry of such congruences, and a concept of curvatures and shape operators associated with the faces of a triangle mesh. These curvatures are compatible with both normal congruences and the Steiner formula. In addition to architecture, we consider the role of discrete curvatures in face recognition. We use geometric measure theory to introduce the notion of asymptotic cones associated with a singular subspace of a Riemannian manifold, which is an extension of the classical notion of asymptotic directions. We get a simple expression of these cones for polyhedral surfaces, as well as convergence and approximation theorems. We use the asymptotic cones as facial descriptors and demonstrate the

  13. Discrete and system models

    Roberts, Fred; Thrall, Robert

    1983-01-01

    The purpose of this four volume series is to make available for college teachers and students samples of important and realistic applications of mathematics which can be covered in undergraduate programs. The goal is to provide illustrations of how modem mathematics is actually employed to solve relevant contemporary problems. Although these independent chapters were prepared primarily for teachers in the general mathematical sciences, they should prove valuable to students, teachers, and research scientists in many of the fields of application as well. Prerequisites for each chapter and suggestions for the teacher are provided. Several of these chapters have been tested in a variety of classroom settings, and all have undergone extensive peer review and revision. Illustrations and exercises be covered in one class, are included in most chapters. Some units can whereas others provide sufficient material for a few weeks of class time. Volume 1 contains 23 chapters and deals with differential equations and, in ...

  14. Analysis of Discrete Mittag - Leffler Functions

    N. Shobanadevi

    2015-03-01

    Full Text Available Discrete Mittag - Leffler functions play a major role in the development of the theory of discrete fractional calculus. In the present article, we analyze qualitative properties of discrete Mittag - Leffler functions and establish sufficient conditions for convergence, oscillation and summability of the infinite series associated with discrete Mittag - Leffler functions.

  15. Foundations of a discrete physics

    McGoveran, D.; Noyes, P.

    1988-01-01

    Starting from the principles of finiteness, discreteness, finite computability and absolute nonuniqueness, we develop the ordering operator calculus, a strictly constructive mathematical system having the empirical properties required by quantum mechanical and special relativistic phenomena. We show how to construct discrete distance functions, and both rectangular and spherical coordinate systems(with a discrete version of ''π''). The richest discrete space constructible without a preferred axis and preserving translational and rotational invariance is shown to be a discrete 3-space with the usual symmetries. We introduce a local ordering parameter with local (proper) time-like properties and universal ordering parameters with global (cosmological) time-like properties. Constructed ''attribute velocities'' connect ensembles with attributes that are invariant as the appropriate time-like parameter increases. For each such attribute, we show how to construct attribute velocities which must satisfy the '' relativistic Doppler shift'' and the ''relativistic velocity composition law,'' as well as the Lorentz transformations. By construction, these velocities have finite maximum and minimum values. In the space of all attributes, the minimum of these maximum velocities will predominate in all multiple attribute computations, and hence can be identified as a fundamental limiting velocity, General commutation relations are constructed which under the physical interpretation are shown to reduce to the usual quantum mechanical commutation relations. 50 refs., 18 figs

  16. Discrete differential geometry. Consistency as integrability

    Bobenko, Alexander I.; Suris, Yuri B.

    2005-01-01

    A new field of discrete differential geometry is presently emerging on the border between differential and discrete geometry. Whereas classical differential geometry investigates smooth geometric shapes (such as surfaces), and discrete geometry studies geometric shapes with finite number of elements (such as polyhedra), the discrete differential geometry aims at the development of discrete equivalents of notions and methods of smooth surface theory. Current interest in this field derives not ...

  17. Integrable structure in discrete shell membrane theory.

    Schief, W K

    2014-05-08

    We present natural discrete analogues of two integrable classes of shell membranes. By construction, these discrete shell membranes are in equilibrium with respect to suitably chosen internal stresses and external forces. The integrability of the underlying equilibrium equations is proved by relating the geometry of the discrete shell membranes to discrete O surface theory. We establish connections with generalized barycentric coordinates and nine-point centres and identify a discrete version of the classical Gauss equation of surface theory.

  18. Degree distribution in discrete case

    Wang, Li-Na; Chen, Bin; Yan, Zai-Zai

    2011-01-01

    Vertex degree of many network models and real-life networks is limited to non-negative integer. By means of measure and integral, the relation of the degree distribution and the cumulative degree distribution in discrete case is analyzed. The degree distribution, obtained by the differential of its cumulative, is only suitable for continuous case or discrete case with constant degree change. When degree change is not a constant but proportional to degree itself, power-law degree distribution and its cumulative have the same exponent and the mean value is finite for power-law exponent greater than 1. -- Highlights: → Degree change is the crux for using the cumulative degree distribution method. → It suits for discrete case with constant degree change. → If degree change is proportional to degree, power-law degree distribution and its cumulative have the same exponent. → In addition, the mean value is finite for power-law exponent greater than 1.

  19. On the discrete Gabor transform and the discrete Zak transform

    Bastiaans, M.J.; Geilen, M.C.W.

    1996-01-01

    Gabor's expansion of a discrete-time signal into a set of shifted and modulated versions of an elementary signal (or synthesis window) and the inverse operation -- the Gabor transform -- with which Gabor's expansion coefficients can be determined, are introduced. It is shown how, in the case of a

  20. Discrete Choice and Rational Inattention

    Fosgerau, Mogens; Melo, Emerson; de Palma, André

    2017-01-01

    This paper establishes a general equivalence between discrete choice and rational inattention models. Matejka and McKay (2015, AER) showed that when information costs are modelled using the Shannon entropy, the result- ing choice probabilities in the rational inattention model take the multinomial...... logit form. We show that when information costs are modelled using a class of generalized entropies, then the choice probabilities in any rational inattention model are observationally equivalent to some additive random utility discrete choice model and vice versa. This equivalence arises from convex...

  1. Modelling a reliability system governed by discrete phase-type distributions

    Ruiz-Castro, Juan Eloy; Perez-Ocon, Rafael; Fernandez-Villodre, Gemma

    2008-01-01

    We present an n-system with one online unit and the others in cold standby. There is a repairman. When the online fails it goes to repair, and instantaneously a standby unit becomes the online one. The operational and repair times follow discrete phase-type distributions. Given that any discrete distribution defined on the positive integers is a discrete phase-type distribution, the system can be considered a general one. A model with unlimited number of units is considered for approximating a system with a great number of units. We show that the process that governs the system is a quasi-birth-and-death process. For this system, performance reliability measures; the up and down periods, and the involved costs are calculated in a matrix and algorithmic form. We show that the discrete case is not a trivial case of the continuous one. The results given in this paper have been implemented computationally with Matlab

  2. Modelling a reliability system governed by discrete phase-type distributions

    Ruiz-Castro, Juan Eloy [Departamento de Estadistica e Investigacion Operativa, Universidad de Granada, 18071 Granada (Spain)], E-mail: jeloy@ugr.es; Perez-Ocon, Rafael [Departamento de Estadistica e Investigacion Operativa, Universidad de Granada, 18071 Granada (Spain)], E-mail: rperezo@ugr.es; Fernandez-Villodre, Gemma [Departamento de Estadistica e Investigacion Operativa, Universidad de Granada, 18071 Granada (Spain)

    2008-11-15

    We present an n-system with one online unit and the others in cold standby. There is a repairman. When the online fails it goes to repair, and instantaneously a standby unit becomes the online one. The operational and repair times follow discrete phase-type distributions. Given that any discrete distribution defined on the positive integers is a discrete phase-type distribution, the system can be considered a general one. A model with unlimited number of units is considered for approximating a system with a great number of units. We show that the process that governs the system is a quasi-birth-and-death process. For this system, performance reliability measures; the up and down periods, and the involved costs are calculated in a matrix and algorithmic form. We show that the discrete case is not a trivial case of the continuous one. The results given in this paper have been implemented computationally with Matlab.

  3. Discrete Hamiltonian evolution and quantum gravity

    Husain, Viqar; Winkler, Oliver

    2004-01-01

    We study constrained Hamiltonian systems by utilizing general forms of time discretization. We show that for explicit discretizations, the requirement of preserving the canonical Poisson bracket under discrete evolution imposes strong conditions on both allowable discretizations and Hamiltonians. These conditions permit time discretizations for a limited class of Hamiltonians, which does not include homogeneous cosmological models. We also present two general classes of implicit discretizations which preserve Poisson brackets for any Hamiltonian. Both types of discretizations generically do not preserve first class constraint algebras. Using this observation, we show that time discretization provides a complicated time gauge fixing for quantum gravity models, which may be compared with the alternative procedure of gauge fixing before discretization

  4. Discrete exterior calculus discretization of incompressible Navier–Stokes equations over surface simplicial meshes

    Mohamed, Mamdouh S.; Hirani, Anil N.; Samtaney, Ravi

    2016-01-01

    A conservative discretization of incompressible Navier–Stokes equations is developed based on discrete exterior calculus (DEC). A distinguishing feature of our method is the use of an algebraic discretization of the interior product operator and a

  5. Solving discrete zero point problems

    van der Laan, G.; Talman, A.J.J.; Yang, Z.F.

    2004-01-01

    In this paper an algorithm is proposed to .nd a discrete zero point of a function on the collection of integral points in the n-dimensional Euclidean space IRn.Starting with a given integral point, the algorithm generates a .nite sequence of adjacent integral simplices of varying dimension and

  6. Succinct Sampling from Discrete Distributions

    Bringmann, Karl; Larsen, Kasper Green

    2013-01-01

    We revisit the classic problem of sampling from a discrete distribution: Given n non-negative w-bit integers x_1,...,x_n, the task is to build a data structure that allows sampling i with probability proportional to x_i. The classic solution is Walker's alias method that takes, when implemented...

  7. Symplectomorphisms and discrete braid invariants

    Czechowski, Aleksander; Vandervorst, Robert

    2017-01-01

    Area and orientation preserving diffeomorphisms of the standard 2-disc, referred to as symplectomorphisms of D2, allow decompositions in terms of positive twist diffeomorphisms. Using the latter decomposition, we utilize the Conley index theory of discrete braid classes as introduced in Ghrist et

  8. Discrete tomography in neutron radiography

    Kuba, Attila; Rodek, Lajos; Kiss, Zoltan; Rusko, Laszlo; Nagy, Antal; Balasko, Marton

    2005-01-01

    Discrete tomography (DT) is an imaging technique for reconstructing discrete images from their projections using the knowledge that the object to be reconstructed contains only a few homogeneous materials characterized by known discrete absorption values. One of the main reasons for applying DT is that we will hopefully require relatively few projections. Using discreteness and some a priori information (such as an approximate shape of the object) we can apply two DT methods in neutron imaging by reducing the problem to an optimization task. The first method is a special one because it is only suitable if the object is composed of cylinders and sphere shapes. The second method is a general one in the sense that it can be used for reconstructing objects of any shape. Software was developed and physical experiments performed in order to investigate the effects of several reconstruction parameters: the number of projections, noise levels, and complexity of the object to be reconstructed. We give a summary of the experimental results and make a comparison of the results obtained using a classical reconstruction technique (FBP). The programs we developed are available in our DT reconstruction program package DIRECT

  9. International Conference eXtended Discretization MethodS

    Benvenuti, Elena

    2016-01-01

    This book gathers selected contributions on emerging research work presented at the International Conference eXtended Discretization MethodS (X-DMS), held in Ferrara in September 2015. It highlights the most relevant advances made at the international level in the context of expanding classical discretization methods, like finite elements, to the numerical analysis of a variety of physical problems. The improvements are intended to achieve higher computational efficiency and to account for special features of the solution directly in the approximation space and/or in the discretization procedure. The methods described include, among others, partition of unity methods (meshfree, XFEM, GFEM), virtual element methods, fictitious domain methods, and special techniques for static and evolving interfaces. The uniting feature of all contributions is the direct link between computational methodologies and their application to different engineering areas.

  10. Heuristic Optimization for the Discrete Virtual Power Plant Dispatch Problem

    Petersen, Mette Kirschmeyer; Hansen, Lars Henrik; Bendtsen, Jan Dimon

    2014-01-01

    We consider a Virtual Power Plant, which is given the task of dispatching a fluctuating power supply to a portfolio of flexible consumers. The flexible consumers are modeled as discrete batch processes, and the associated optimization problem is denoted the Discrete Virtual Power Plant Dispatch...... Problem. First NP-completeness of the Discrete Virtual Power Plant Dispatch Problem is proved formally. We then proceed to develop tailored versions of the meta-heuristic algorithms Hill Climber and Greedy Randomized Adaptive Search Procedure (GRASP). The algorithms are tuned and tested on portfolios...... of varying sizes. We find that all the tailored algorithms perform satisfactorily in the sense that they are able to find sub-optimal, but usable, solutions to very large problems (on the order of 10 5 units) at computation times on the scale of just 10 seconds, which is far beyond the capabilities...

  11. Theoretical and experimental spectroscopic studies of the first highly luminescent binuclear hydrocinnamate of Eu(III), Tb(III) and Gd(III) with bidentate 2,2'-bipyridine ligand

    Marques, Lippy F.; Correa, Charlane C.; Garcia, Humberto C. [Departamento de Química-ICE, Universidade Federal de Juiz de Fora, Juiz de Fora-MG 36036-330 (Brazil); Martins Francisco, Thiago [Departamento de Física-ICEx, Universidade Federal de Minas Gerais, Pampulha, Belo Horizonte-MG 30123-970 (Brazil); Ribeiro, Sidney J.L. [Instituto de Química, Universidade Estadual Paulista Júlio de Mesquita Filho-UNESP, CP 355, Araraquara-SP 14801-970 (Brazil); Dutra, José Diogo L.; Freire, Ricardo O. [Pople Computational Chemistry Laboratory, Departamento de Química, Universidade Federal de Sergipe, São Cristóvão-SE 49100-000 (Brazil); Machado, Flávia C., E-mail: flavia.machado@ufjf.edu.br [Departamento de Química-ICE, Universidade Federal de Juiz de Fora, Juiz de Fora-MG 36036-330 (Brazil)

    2014-04-15

    In this paper, the synthesis of three new binuclear lanthanide (III) complexes [Ln{sub 2}(cin){sub 6}(bpy){sub 2}] (Ln=Eu (1), Tb (2), Gd (3), cin=hydrocinnamate anion; bpy=2,2'-bipyridine), and their complete characterization, including single crystal X-ray diffraction, FTIR spectroscopy and thermal analysis (TGA/DTA) are reported. In especial, photophysical properties of Eu(III) complex have been studied in detail via both theoretical and experimental approaches. Crystal structures of 1–3 reveal that all compounds are isostructural and that each lanthanide ion is nine-coordinated by oxygen and nitrogen atoms in an overall distorted tricapped trigonal-prismatic geometry. Eu(III) complex structure was also calculated using the Sparkle model for lanthanide complexes and the intensity parameters (Ω{sub 2}, Ω{sub 4}, and Ω{sub 6}), calculated from the experimental data and from Sparkle/PM3 model. The theoretical emission quantum efficiencies obtained for Sparkle/PM3 structures are in excellent agreement with the experimental values, clearly attesting to the efficacy of the theoretical models. The theoretical procedure applied here shows that the europium binuclear compound displays a quantum yield about 65% suggesting that the system can be excellent for the development of efficient luminescent devices. Highlights: • First binuclear Ln{sup 3+}-hydrocinnamate have been synthesized and characterized. • Eu{sup 3+}, Tb{sup 3+} and Gd{sup 3+} complexes photoluminescence properties were investigated. • Theoretical approaches for Eu{sup 3+} complex luminescence has been performed. • An energy level diagram is used to establish the ligand-to-metal energy transfer. • 65% Quantum yield suggests an excellent system for luminescent devices.

  12. Discrete choice experiments of pharmacy services: a systematic review.

    Vass, Caroline; Gray, Ewan; Payne, Katherine

    2016-06-01

    Background Two previous systematic reviews have summarised the application of discrete choice experiments to value preferences for pharmacy services. These reviews identified a total of twelve studies and described how discrete choice experiments have been used to value pharmacy services but did not describe or discuss the application of methods used in the design or analysis. Aims (1) To update the most recent systematic review and critically appraise current discrete choice experiments of pharmacy services in line with published reporting criteria and; (2) To provide an overview of key methodological developments in the design and analysis of discrete choice experiments. Methods The review used a comprehensive strategy to identify eligible studies (published between 1990 and 2015) by searching electronic databases for key terms related to discrete choice and best-worst scaling (BWS) experiments. All healthcare choice experiments were then hand-searched for key terms relating to pharmacy. Data were extracted using a published checklist. Results A total of 17 discrete choice experiments eliciting preferences for pharmacy services were identified for inclusion in the review. No BWS studies were identified. The studies elicited preferences from a variety of populations (pharmacists, patients, students) for a range of pharmacy services. Most studies were from a United Kingdom setting, although examples from Europe, Australia and North America were also identified. Discrete choice experiments for pharmacy services tended to include more attributes than non-pharmacy choice experiments. Few studies reported the use of qualitative research methods in the design and interpretation of the experiments (n = 9) or use of new methods of analysis to identify and quantify preference and scale heterogeneity (n = 4). No studies reported the use of Bayesian methods in their experimental design. Conclusion Incorporating more sophisticated methods in the design of pharmacy

  13. Identification of the Regulator Gene Responsible for the Acetone-Responsive Expression of the Binuclear Iron Monooxygenase Gene Cluster in Mycobacteria ▿

    Furuya, Toshiki; Hirose, Satomi; Semba, Hisashi; Kino, Kuniki

    2011-01-01

    The mimABCD gene cluster encodes the binuclear iron monooxygenase that oxidizes propane and phenol in Mycobacterium smegmatis strain MC2 155 and Mycobacterium goodii strain 12523. Interestingly, expression of the mimABCD gene cluster is induced by acetone. In this study, we investigated the regulator gene responsible for this acetone-responsive expression. In the genome sequence of M. smegmatis strain MC2 155, the mimABCD gene cluster is preceded by a gene designated mimR, which is divergently transcribed. Sequence analysis revealed that MimR exhibits amino acid similarity with the NtrC family of transcriptional activators, including AcxR and AcoR, which are involved in acetone and acetoin metabolism, respectively. Unexpectedly, many homologs of the mimR gene were also found in the sequenced genomes of actinomycetes. A plasmid carrying a transcriptional fusion of the intergenic region between the mimR and mimA genes with a promoterless green fluorescent protein (GFP) gene was constructed and introduced into M. smegmatis strain MC2 155. Using a GFP reporter system, we confirmed by deletion and complementation analyses that the mimR gene product is the positive regulator of the mimABCD gene cluster expression that is responsive to acetone. M. goodii strain 12523 also utilized the same regulatory system as M. smegmatis strain MC2 155. Although transcriptional activators of the NtrC family generally control transcription using the σ54 factor, a gene encoding the σ54 factor was absent from the genome sequence of M. smegmatis strain MC2 155. These results suggest the presence of a novel regulatory system in actinomycetes, including mycobacteria. PMID:21856847

  14. Highly sensitive colour change system within slight differences in metal ion concentrations based on homo-binuclear complex formation equilibrium for visual threshold detection of trace metal ions

    Mizuguchi, Hitoshi; Atsumi, Hiroshi; Hashimoto, Keigo; Shimada, Yasuhiro; Kudo, Yuki; Endo, Masatoshi; Yokota, Fumihiko; Shida, Junichi; Yotsuyanagi, Takao

    2004-01-01

    A new technique of expressing slight differences in metal ion concentrations by clear difference in colour was established for visual threshold detection of trace metal ions. The proposed method is based on rapid change of the mole fraction of the homo-binuclear complex (M 2 L) about a ligand in a narrow range of the total metal ion concentration (M T ) in a small excess, in case the second metal ion is bound to the reagent molecule which can bind two metal ions. Theoretical simulations showed that the highly sensitive colour change within slight differences in metal ion concentrations would be realized under the following conditions: (i) both of the stepwise formation constants of complex species are sufficiently large; (ii) the stepwise formation constant of the 1:1 complex (ML) is larger than that of M 2 L; and (iii) the absorption spectrum of M 2 L is far apart from the other species in the visible region. Furthermore, the boundary of the colour region in M T would be readily controlled by the total ligand concentration (L T ). Based on this theory, the proposed model was verified with the 3,3'-bis[bis(carboxymethyl)amino]methyl derivatives of sulphonephthalein dyes such as xylenol orange (XO), methylthymol blue (MTB), and methylxylenol blue (MXB), which can bind two metal ions at both ends of a π-electron conjugated system. The above-mentioned model was proved with the iron(III)-XO system at pH 2. In addition, MTB and MXB were suitable reagents for the visual threshold detection of trivalent metal ions such as iron(III), aluminium(III), gallium(III) and indium(III) ion in slightly acidic media. The proposed method has been applied successfully as a screening test for aluminium(III) ion in river water sampled at the downstream area of an old mine

  15. Discrete elements method of neutron transport

    Mathews, K.A.

    1988-01-01

    In this paper a new neutron transport method, called discrete elements (L N ) is derived and compared to discrete ordinates methods, theoretically and by numerical experimentation. The discrete elements method is based on discretizing the Boltzmann equation over a set of elements of angle. The discrete elements method is shown to be more cost-effective than discrete ordinates, in terms of accuracy versus execution time and storage, for the cases tested. In a two-dimensional test case, a vacuum duct in a shield, the L N method is more consistently convergent toward a Monte Carlo benchmark solution

  16. Discrete optimization in architecture extremely modular systems

    Zawidzki, Machi

    2017-01-01

    This book is comprised of two parts, both of which explore modular systems: Pipe-Z (PZ) and Truss-Z (TZ), respectively. It presents several methods of creating PZ and TZ structures subjected to discrete optimization. The algorithms presented employ graph-theoretic and heuristic methods. The underlying idea of both systems is to create free-form structures using the minimal number of types of modular elements. PZ is more conceptual, as it forms single-branch mathematical knots with a single type of module. Conversely, TZ is a skeletal system for creating free-form pedestrian ramps and ramp networks among any number of terminals in space. In physical space, TZ uses two types of modules that are mirror reflections of each other. The optimization criteria discussed include: the minimal number of units, maximal adherence to the given guide paths, etc.

  17. Discrete gauge symmetries in discrete MSSM-like orientifolds

    Ibáñez, L.E.; Schellekens, A.N.; Uranga, A.M.

    2012-01-01

    Motivated by the necessity of discrete Z N symmetries in the MSSM to insure baryon stability, we study the origin of discrete gauge symmetries from open string sector U(1)'s in orientifolds based on rational conformal field theory. By means of an explicit construction, we find an integral basis for the couplings of axions and U(1) factors for all simple current MIPFs and orientifolds of all 168 Gepner models, a total of 32 990 distinct cases. We discuss how the presence of discrete symmetries surviving as a subgroup of broken U(1)'s can be derived using this basis. We apply this procedure to models with MSSM chiral spectrum, concretely to all known U(3)×U(2)×U(1)×U(1) and U(3)×Sp(2)×U(1)×U(1) configurations with chiral bi-fundamentals, but no chiral tensors, as well as some SU(5) GUT models. We find examples of models with Z 2 (R-parity) and Z 3 symmetries that forbid certain B and/or L violating MSSM couplings. Their presence is however relatively rare, at the level of a few percent of all cases.

  18. Unit 06 - Sampling the World

    Unit 06, CC in GIS; Parson, Charles; Nyerges, Timothy

    1990-01-01

    This unit begins the section on data acquisition by looking at how the infinite complexity of the real world can be discretized and sampled. It considers sampling techniques and associated issues of accuracy and standards.

  19. Positivity for Convective Semi-discretizations

    Fekete, Imre; Ketcheson, David I.; Loczi, Lajos

    2017-01-01

    We propose a technique for investigating stability properties like positivity and forward invariance of an interval for method-of-lines discretizations, and apply the technique to study positivity preservation for a class of TVD semi-discretizations

  20. Quantum chaos on discrete graphs

    Smilansky, Uzy

    2007-01-01

    Adapting a method developed for the study of quantum chaos on quantum (metric) graphs (Kottos and Smilansky 1997 Phys. Rev. Lett. 79 4794, Kottos and Smilansky 1999 Ann. Phys., NY 274 76), spectral ζ functions and trace formulae for discrete Laplacians on graphs are derived. This is achieved by expressing the spectral secular equation in terms of the periodic orbits of the graph and obtaining functions which belong to the class of ζ functions proposed originally by Ihara (1966 J. Mat. Soc. Japan 18 219) and expanded by subsequent authors (Stark and Terras 1996 Adv. Math. 121 124, Kotani and Sunada 2000 J. Math. Sci. Univ. Tokyo 7 7). Finally, a model of 'classical dynamics' on the discrete graph is proposed. It is analogous to the corresponding classical dynamics derived for quantum graphs (Kottos and Smilansky 1997 Phys. Rev. Lett. 79 4794, Kottos and Smilansky 1999 Ann. Phys., NY 274 76). (fast track communication)

  1. Applied geometry and discrete mathematics

    Sturm; Gritzmann, Peter; Sturmfels, Bernd

    1991-01-01

    This volume, published jointly with the Association for Computing Machinery, comprises a collection of research articles celebrating the occasion of Victor Klee's sixty-fifth birthday in September 1990. During his long career, Klee has made contributions to a wide variety of areas, such as discrete and computational geometry, convexity, combinatorics, graph theory, functional analysis, mathematical programming and optimization, and theoretical computer science. In addition, Klee made important contributions to mathematics education, mathematical methods in economics and the decision sciences, applications of discrete mathematics in the biological and social sciences, and the transfer of knowledge from applied mathematics to industry. In honor of Klee's achievements, this volume presents more than forty papers on topics related to Klee's research. While the majority of the papers are research articles, a number of survey articles are also included. Mirroring the breadth of Klee's mathematical contributions, th...

  2. Emissivity of discretized diffusion problems

    Densmore, Jeffery D.; Davidson, Gregory; Carrington, David B.

    2006-01-01

    The numerical modeling of radiative transfer by the diffusion approximation can produce artificially damped radiation propagation if spatial cells are too optically thick. In this paper, we investigate this nonphysical behavior at external problem boundaries by examining the emissivity of the discretized diffusion approximation. We demonstrate that the standard cell-centered discretization produces an emissivity that is too low for optically thick cells, a situation that leads to the lack of radiation propagation. We then present a modified boundary condition that yields an accurate emissivity regardless of cell size. This modified boundary condition can be used with a deterministic calculation or as part of a hybrid transport-diffusion method for increasing the efficiency of Monte Carlo simulations. We also discuss the range of applicability, as a function of cell size and material properties, when this modified boundary condition is employed in a hybrid technique. With a set of numerical calculations, we demonstrate the accuracy and usefulness of this modified boundary condition

  3. Discrete symmetries in the MSSM

    Schieren, Roland

    2010-12-02

    The use of discrete symmetries, especially abelian ones, in physics beyond the standard model of particle physics is discussed. A method is developed how a general, abelian, discrete symmetry can be obtained via spontaneous symmetry breaking. In addition, anomalies are treated in the path integral approach with special attention to anomaly cancellation via the Green-Schwarz mechanism. All this is applied to the minimal supersymmetric standard model. A unique Z{sup R}{sub 4} symmetry is discovered which solves the {mu}-problem as well as problems with proton decay and allows to embed the standard model gauge group into a simple group, i.e. the Z{sup R}{sub 4} is compatible with grand unification. Also the flavor problem in the context of minimal flavor violation is addressed. Finally, a string theory model is presented which exhibits the mentioned Z{sup R}{sub 4} symmetry and other desirable features. (orig.)

  4. Domain Discretization and Circle Packings

    Dias, Kealey

    A circle packing is a configuration of circles which are tangent with one another in a prescribed pattern determined by a combinatorial triangulation, where the configuration fills a planar domain or a two-dimensional surface. The vertices in the triangulation correspond to centers of circles...... to domain discretization problems such as triangulation and unstructured mesh generation techniques. We wish to ask ourselves the question: given a cloud of points in the plane (we restrict ourselves to planar domains), is it possible to construct a circle packing preserving the positions of the vertices...... and constrained meshes having predefined vertices as constraints. A standard method of two-dimensional mesh generation involves conformal mapping of the surface or domain to standardized shapes, such as a disk. Since circle packing is a new technique for constructing discrete conformal mappings, it is possible...

  5. Discrete Bose-Einstein spectra

    Vlad, Valentin I.; Ionescu-Pallas, Nicholas

    2001-03-01

    The Bose-Einstein energy spectrum of a quantum gas, confined in a rigid cubic box, is shown to become discrete and strongly dependent on the box geometry (size L), temperature, T and atomic mass number, A at , in the region of small γ=A at TV 1/3 . This behavior is the consequence of the random state degeneracy in the box. Furthermore, we demonstrate that the total energy does not obey the conventional law any longer, but a new law, which depends on γ and on the quantum gas fugacity. This energy law imposes a faster decrease to zero than it is classically expected, for γ→0. The lighter the gas atoms, the higher the temperatures or the box size, for the same effects in the discrete Bose-Einstein regime. (author)

  6. Discrete symmetries in the MSSM

    Schieren, Roland

    2010-01-01

    The use of discrete symmetries, especially abelian ones, in physics beyond the standard model of particle physics is discussed. A method is developed how a general, abelian, discrete symmetry can be obtained via spontaneous symmetry breaking. In addition, anomalies are treated in the path integral approach with special attention to anomaly cancellation via the Green-Schwarz mechanism. All this is applied to the minimal supersymmetric standard model. A unique Z R 4 symmetry is discovered which solves the μ-problem as well as problems with proton decay and allows to embed the standard model gauge group into a simple group, i.e. the Z R 4 is compatible with grand unification. Also the flavor problem in the context of minimal flavor violation is addressed. Finally, a string theory model is presented which exhibits the mentioned Z R 4 symmetry and other desirable features. (orig.)

  7. Discrete mathematics using a computer

    Hall, Cordelia

    2000-01-01

    Several areas of mathematics find application throughout computer science, and all students of computer science need a practical working understanding of them. These core subjects are centred on logic, sets, recursion, induction, relations and functions. The material is often called discrete mathematics, to distinguish it from the traditional topics of continuous mathematics such as integration and differential equations. The central theme of this book is the connection between computing and discrete mathematics. This connection is useful in both directions: • Mathematics is used in many branches of computer science, in applica­ tions including program specification, datastructures,design and analysis of algorithms, database systems, hardware design, reasoning about the correctness of implementations, and much more; • Computers can help to make the mathematics easier to learn and use, by making mathematical terms executable, making abstract concepts more concrete, and through the use of software tools su...

  8. Duality for discrete integrable systems

    Quispel, G R W; Capel, H W; Roberts, J A G

    2005-01-01

    A new class of discrete dynamical systems is introduced via a duality relation for discrete dynamical systems with a number of explicitly known integrals. The dual equation can be defined via the difference of an arbitrary linear combination of integrals and its upshifted version. We give an example of an integrable mapping with two parameters and four integrals leading to a (four-dimensional) dual mapping with four parameters and two integrals. We also consider a more general class of higher-dimensional mappings arising via a travelling-wave reduction from the (integrable) MKdV partial-difference equation. By differencing the trace of the monodromy matrix we obtain a class of novel dual mappings which is shown to be integrable as level-set-dependent versions of the original ones

  9. Observability of discretized partial differential equations

    Cohn, Stephen E.; Dee, Dick P.

    1988-01-01

    It is shown that complete observability of the discrete model used to assimilate data from a linear partial differential equation (PDE) system is necessary and sufficient for asymptotic stability of the data assimilation process. The observability theory for discrete systems is reviewed and applied to obtain simple observability tests for discretized constant-coefficient PDEs. Examples are used to show how numerical dispersion can result in discrete dynamics with multiple eigenvalues, thereby detracting from observability.

  10. On the influence of spatial discretization in LWR steady state and burnup calculations with HELIOS 1.9

    Merk, B.; Weiss, F. P.

    2009-01-01

    Cell and burnup calculations are fundamental to all deterministic static and transient 3D full core calculations for different operational states of the reactor. The spatial discretization used for the cell and burnup calculations influences significantly the results of full integral transport solutions. The influence of the discretization on k inf is shown for the steady state case and the influence on the neutron spectrum is analyzed. Moreover, the differences in k inf are presented for different spatial discretization strategies in the burnup calculation of Uranium Oxide (UOX) fuel. The resulting different flux distributions cause significant changes in the isotopic densities. The influence of the discretization strategies on the calculation of homogenized few group cross-sections is investigated. This detailed discretization study demonstrates the need for sufficiently fine discretization to produce reliable and accurate results when using integral transport methods. In contrast to the currently used discretization schemes, refined discretization is especially important in the moderator region of the unit cell to reproduce the influence on the thermal neutron spectrum. Additionally, the need for sufficient discretization affects the idea of full core calculations based on integral transport methods since it has to be discussed whether it is worth to do full core calculations with reduced discretization when facing this strong discretization effect. The computer resources required for full core calculations with fine discretization are currently not available. (authors)

  11. Effective lagrangian description on discrete gauge symmetries

    Banks, T.

    1989-01-01

    We exhibit a simple low-energy lagrangian which describes a system with a discrete remnant of a spontaneously broken continuous gauge symmetry. The lagrangian gives a simple description of the effects ascribed to such systems by Krauss and Wilczek: black holes carry discrete hair and interact with cosmic strings, and wormholes cannot lead to violation of discrete gauge symmetries. (orig.)

  12. Discrete port-Hamiltonian systems : mixed interconnections

    Talasila, Viswanath; Clemente-Gallardo, J.; Schaft, A.J. van der

    2005-01-01

    Either from a control theoretic viewpoint or from an analysis viewpoint it is necessary to convert smooth systems to discrete systems, which can then be implemented on computers for numerical simulations. Discrete models can be obtained either by discretizing a smooth model, or by directly modeling

  13. Discrete fractional solutions of a Legendre equation

    Yılmazer, Resat

    2018-01-01

    One of the most popular research interests of science and engineering is the fractional calculus theory in recent times. Discrete fractional calculus has also an important position in fractional calculus. In this work, we acquire new discrete fractional solutions of the homogeneous and non homogeneous Legendre differential equation by using discrete fractional nabla operator.

  14. Continuous versus discrete structures II -- Discrete Hamiltonian systems and Helmholtz conditions

    Cresson, Jacky; Pierret, Frédéric

    2015-01-01

    We define discrete Hamiltonian systems in the framework of discrete embeddings. An explicit comparison with previous attempts is given. We then solve the discrete Helmholtz's inverse problem for the discrete calculus of variation in the Hamiltonian setting. Several applications are discussed.

  15. Asymptotic behavior of discrete holomorphic maps z^c, log(z) and discrete Painleve transcedents

    Agafonov, S. I.

    2005-01-01

    It is shown that discrete analogs of z^c and log(z) have the same asymptotic behavior as their smooth counterparts. These discrete maps are described in terms of special solutions of discrete Painleve-II equations, asymptotics of these solutions providing the behaviour of discrete z^c and log(z) at infinity.

  16. Discrete integrable couplings associated with Toda-type lattice and two hierarchies of discrete soliton equations

    Zhang Yufeng; Fan Engui; Zhang Yongqing

    2006-01-01

    With the help of two semi-direct sum Lie algebras, an efficient way to construct discrete integrable couplings is proposed. As its applications, the discrete integrable couplings of the Toda-type lattice equations are obtained. The approach can be devoted to establishing other discrete integrable couplings of the discrete lattice integrable hierarchies of evolution equations

  17. Synthesis, characterization, X-ray crystal structure and conductometry studying of a number of new Schiff base complexes; a new example of binuclear square pyramidal geometry of Cu(II) complex bridged with an oxo group

    Golbedaghi, Reza; Alavipour, Ehsan

    2015-11-01

    Three new binuclear Cu(II), Mn(II), Co(II) complexes [Cu2(L) (ClO4)](ClO4)2 (1), [Mn2(L) (ClO4)](ClO4)2 (2), and [Co2(L) (ClO4)](ClO4)2 (3), {L = 1,3-bis(2-((Z)-(2-aminopropylimino)methyl)phenoxy)propan-2-ol} have been synthesized. Single crystal X-ray structure analysis of complex 1 showed that the complex is binuclear and all nitrogen and oxygen atoms of ligand (N4O3) are coordinated to two Cu(II) center ions. In addition, the crystal structure studying shows, a perchlorate ion has been bridged to the Cu(II) metal centers. However, two distorted square pyramidal Cu(II) ions are bridged asymmetrically by a perchlorate ion and oxygen of hydroxyl group of Schiff base ligand. In addition, the conductometry behaviors of all complexes were studied in acetonitrile solution.

  18. Tetradentate-arm Schiff base derived from the condensation reaction of 3,3′-dihydroxybenzidine, glyoxal/diacetyl and 2-aminophenol: Designing, structural elucidation and properties of their binuclear metal(II complexes

    E. Akila

    2017-05-01

    Full Text Available The novel binuclear Schiff base complexes were prepared by the reaction of 3,3′-dihydroxybenzidine, glyoxal/diacetyl and 2-aminophenol in 1:2:2 M ratio. The binucleating Schiff base ligand and its complexes of Cu(II, Ni(II and VO(II ions were characterized by elemental analysis, molar conductance, 1H NMR, infrared, electronic spectra, cyclic voltammetry, thermal, magnetic and EPR studies. The low molar conductance values of the complexes support the non-electrolytic in nature. In IR spectra, the comparison of shift in frequency of the complexes with the ligand reveals the coordination of donor atom to the metal atom. The binuclear nature of the complexes is assessed from their magnetic susceptibility values. The electronic and EPR spectra of the metal complexes provide information about the geometry of the complexes and are in good agreement with the proposed square planar geometry for Cu(II, Ni(II and square pyramidal for VO(II complexes. Molecular modeling has been used to suggest the structure of the complexes. The DNA cleavage ability of the complexes was monitored by gel electrophoresis using supercoiled pUC18 DNA. The metal complexes were screened for their antibacterial activities against pathogenic bacteria like Staphylococcus aureus, Escherichia coli, Klebsiella pneumoniae and Bacillus subtilis. The activity data show that the metal complexes are more potent activity than the parent Schiff base ligand against microorganisms.

  19. Cuspidal discrete series for projective hyperbolic spaces

    Andersen, Nils Byrial; Flensted-Jensen, Mogens

    2013-01-01

    Abstract. We have in [1] proposed a definition of cusp forms on semisimple symmetric spaces G/H, involving the notion of a Radon transform and a related Abel transform. For the real non-Riemannian hyperbolic spaces, we showed that there exists an infinite number of cuspidal discrete series......, and at most finitely many non-cuspidal discrete series, including in particular the spherical discrete series. For the projective spaces, the spherical discrete series are the only non-cuspidal discrete series. Below, we extend these results to the other hyperbolic spaces, and we also study the question...

  20. Space-Time Discrete KPZ Equation

    Cannizzaro, G.; Matetski, K.

    2018-03-01

    We study a general family of space-time discretizations of the KPZ equation and show that they converge to its solution. The approach we follow makes use of basic elements of the theory of regularity structures (Hairer in Invent Math 198(2):269-504, 2014) as well as its discrete counterpart (Hairer and Matetski in Discretizations of rough stochastic PDEs, 2015. arXiv:1511.06937). Since the discretization is in both space and time and we allow non-standard discretization for the product, the methods mentioned above have to be suitably modified in order to accommodate the structure of the models under study.

  1. Integrable discretizations of the short pulse equation

    Feng Baofeng; Maruno, Ken-ichi; Ohta, Yasuhiro

    2010-01-01

    In this paper, we propose integrable semi-discrete and full-discrete analogues of the short pulse (SP) equation. The key construction is the bilinear form and determinant structure of solutions of the SP equation. We also give the determinant formulas of N-soliton solutions of the semi-discrete and full-discrete analogues of the SP equations, from which the multi-loop and multi-breather solutions can be generated. In the continuous limit, the full-discrete SP equation converges to the semi-discrete SP equation, and then to the continuous SP equation. Based on the semi-discrete SP equation, an integrable numerical scheme, i.e. a self-adaptive moving mesh scheme, is proposed and used for the numerical computation of the short pulse equation.

  2. Discrete geometric structures for architecture

    Pottmann, Helmut

    2010-06-13

    The emergence of freeform structures in contemporary architecture raises numerous challenging research problems, most of which are related to the actual fabrication and are a rich source of research topics in geometry and geometric computing. The talk will provide an overview of recent progress in this field, with a particular focus on discrete geometric structures. Most of these result from practical requirements on segmenting a freeform shape into planar panels and on the physical realization of supporting beams and nodes. A study of quadrilateral meshes with planar faces reveals beautiful relations to discrete differential geometry. In particular, we discuss meshes which discretize the network of principal curvature lines. Conical meshes are among these meshes; they possess conical offset meshes at a constant face/face distance, which in turn leads to a supporting beam layout with so-called torsion free nodes. This work can be generalized to a variety of multilayer structures and laid the ground for an adapted curvature theory for these meshes. There are also efforts on segmenting surfaces into planar hexagonal panels. Though these are less constrained than planar quadrilateral panels, this problem is still waiting for an elegant solution. Inspired by freeform designs in architecture which involve circles and spheres, we present a new kind of triangle mesh whose faces\\' in-circles form a packing, i.e., the in-circles of two triangles with a common edge have the same contact point on that edge. These "circle packing (CP) meshes" exhibit an aesthetic balance of shape and size of their faces. They are closely tied to sphere packings on surfaces and to various remarkable structures and patterns which are of interest in art, architecture, and design. CP meshes constitute a new link between architectural freeform design and computational conformal geometry. Recently, certain timber structures motivated us to study discrete patterns of geodesics on surfaces. This

  3. Radiative transfer on discrete spaces

    Preisendorfer, Rudolph W; Stark, M; Ulam, S

    1965-01-01

    Pure and Applied Mathematics, Volume 74: Radiative Transfer on Discrete Spaces presents the geometrical structure of natural light fields. This book describes in detail with mathematical precision the radiometric interactions of light-scattering media in terms of a few well established principles.Organized into four parts encompassing 15 chapters, this volume begins with an overview of the derivations of the practical formulas and the arrangement of formulas leading to numerical solution procedures of radiative transfer problems in plane-parallel media. This text then constructs radiative tran

  4. 3-D discrete analytical ridgelet transform.

    Helbert, David; Carré, Philippe; Andres, Eric

    2006-12-01

    In this paper, we propose an implementation of the 3-D Ridgelet transform: the 3-D discrete analytical Ridgelet transform (3-D DART). This transform uses the Fourier strategy for the computation of the associated 3-D discrete Radon transform. The innovative step is the definition of a discrete 3-D transform with the discrete analytical geometry theory by the construction of 3-D discrete analytical lines in the Fourier domain. We propose two types of 3-D discrete lines: 3-D discrete radial lines going through the origin defined from their orthogonal projections and 3-D planes covered with 2-D discrete line segments. These discrete analytical lines have a parameter called arithmetical thickness, allowing us to define a 3-D DART adapted to a specific application. Indeed, the 3-D DART representation is not orthogonal, It is associated with a flexible redundancy factor. The 3-D DART has a very simple forward/inverse algorithm that provides an exact reconstruction without any iterative method. In order to illustrate the potentiality of this new discrete transform, we apply the 3-D DART and its extension to the Local-DART (with smooth windowing) to the denoising of 3-D image and color video. These experimental results show that the simple thresholding of the 3-D DART coefficients is efficient.

  5. Fermion systems in discrete space-time

    Finster, Felix

    2007-01-01

    Fermion systems in discrete space-time are introduced as a model for physics on the Planck scale. We set up a variational principle which describes a non-local interaction of all fermions. This variational principle is symmetric under permutations of the discrete space-time points. We explain how for minimizers of the variational principle, the fermions spontaneously break this permutation symmetry and induce on space-time a discrete causal structure

  6. Fermion systems in discrete space-time

    Finster, Felix [NWF I - Mathematik, Universitaet Regensburg, 93040 Regensburg (Germany)

    2007-05-15

    Fermion systems in discrete space-time are introduced as a model for physics on the Planck scale. We set up a variational principle which describes a non-local interaction of all fermions. This variational principle is symmetric under permutations of the discrete space-time points. We explain how for minimizers of the variational principle, the fermions spontaneously break this permutation symmetry and induce on space-time a discrete causal structure.

  7. Fermion Systems in Discrete Space-Time

    Finster, Felix

    2006-01-01

    Fermion systems in discrete space-time are introduced as a model for physics on the Planck scale. We set up a variational principle which describes a non-local interaction of all fermions. This variational principle is symmetric under permutations of the discrete space-time points. We explain how for minimizers of the variational principle, the fermions spontaneously break this permutation symmetry and induce on space-time a discrete causal structure.

  8. Fermion systems in discrete space-time

    Finster, Felix

    2007-05-01

    Fermion systems in discrete space-time are introduced as a model for physics on the Planck scale. We set up a variational principle which describes a non-local interaction of all fermions. This variational principle is symmetric under permutations of the discrete space-time points. We explain how for minimizers of the variational principle, the fermions spontaneously break this permutation symmetry and induce on space-time a discrete causal structure.

  9. Inevitable randomness in discrete mathematics

    Beck, Jozsef

    2009-01-01

    Mathematics has been called the science of order. The subject is remarkably good for generalizing specific cases to create abstract theories. However, mathematics has little to say when faced with highly complex systems, where disorder reigns. This disorder can be found in pure mathematical arenas, such as the distribution of primes, the 3n+1 conjecture, and class field theory. The purpose of this book is to provide examples--and rigorous proofs--of the complexity law: (1) discrete systems are either simple or they exhibit advanced pseudorandomness; (2) a priori probabilities often exist even when there is no intrinsic symmetry. Part of the difficulty in achieving this purpose is in trying to clarify these vague statements. The examples turn out to be fascinating instances of deep or mysterious results in number theory and combinatorics. This book considers randomness and complexity. The traditional approach to complexity--computational complexity theory--is to study very general complexity classes, such as P...

  10. Quantum evolution by discrete measurements

    Roa, L; Guevara, M L Ladron de; Delgado, A; Olivares-RenterIa, G; Klimov, A B

    2007-01-01

    In this article we review two ways of driving a quantum system to a known pure state via a sequence discrete of von Neumann measurements. The first of them assumes that the initial state of the system is unknown, and the evolution is attained only with the help of two non-commuting observables. For this method, the overall success probability is maximized when the eigentstates of the involved observables constitute mutually unbiased bases. The second method assumes the initial state is known and it uses N observables which are consecutively measured to make the state of the system approach the target state. The probability of success of this procedure converges to 1 as the number of observables increases

  11. Quantum evolution by discrete measurements

    Roa, L [Center for Quantum Optics and Quantum Information, Departamento de Fisica, Universidad de Concepcion, Casilla 160-C, Concepcion (Chile); Guevara, M L Ladron de [Departamento de Fisica, Universidad Catolica del Norte, Casilla 1280, Antofagasta (Chile); Delgado, A [Center for Quantum Optics and Quantum Information, Departamento de Fisica, Universidad de Concepcion, Casilla 160-C, Concepcion (Chile); Olivares-RenterIa, G [Center for Quantum Optics and Quantum Information, Departamento de Fisica, Universidad de Concepcion, Casilla 160-C, Concepcion (Chile); Klimov, A B [Departamento de Fisica, Universidad de Guadalajara, Revolucion 1500, 44420 Guadalajara, Jalisco (Mexico)

    2007-10-15

    In this article we review two ways of driving a quantum system to a known pure state via a sequence discrete of von Neumann measurements. The first of them assumes that the initial state of the system is unknown, and the evolution is attained only with the help of two non-commuting observables. For this method, the overall success probability is maximized when the eigentstates of the involved observables constitute mutually unbiased bases. The second method assumes the initial state is known and it uses N observables which are consecutively measured to make the state of the system approach the target state. The probability of success of this procedure converges to 1 as the number of observables increases.

  12. Discrete stochastic processes and applications

    Collet, Jean-François

    2018-01-01

    This unique text for beginning graduate students gives a self-contained introduction to the mathematical properties of stochastics and presents their applications to Markov processes, coding theory, population dynamics, and search engine design. The book is ideal for a newly designed course in an introduction to probability and information theory. Prerequisites include working knowledge of linear algebra, calculus, and probability theory. The first part of the text focuses on the rigorous theory of Markov processes on countable spaces (Markov chains) and provides the basis to developing solid probabilistic intuition without the need for a course in measure theory. The approach taken is gradual beginning with the case of discrete time and moving on to that of continuous time. The second part of this text is more applied; its core introduces various uses of convexity in probability and presents a nice treatment of entropy.

  13. Discrete calculus methods for counting

    Mariconda, Carlo

    2016-01-01

    This book provides an introduction to combinatorics, finite calculus, formal series, recurrences, and approximations of sums. Readers will find not only coverage of the basic elements of the subjects but also deep insights into a range of less common topics rarely considered within a single book, such as counting with occupancy constraints, a clear distinction between algebraic and analytical properties of formal power series, an introduction to discrete dynamical systems with a thorough description of Sarkovskii’s theorem, symbolic calculus, and a complete description of the Euler-Maclaurin formulas and their applications. Although several books touch on one or more of these aspects, precious few cover all of them. The authors, both pure mathematicians, have attempted to develop methods that will allow the student to formulate a given problem in a precise mathematical framework. The aim is to equip readers with a sound strategy for classifying and solving problems by pursuing a mathematically rigorous yet ...

  14. Modeling discrete competitive facility location

    Karakitsiou, Athanasia

    2015-01-01

    This book presents an up-to-date review of modeling and optimization approaches for location problems along with a new bi-level programming methodology which captures the effect of competition of both producers and customers on facility location decisions. While many optimization approaches simplify location problems by assuming decision making in isolation, this monograph focuses on models which take into account the competitive environment in which such decisions are made. New insights in modeling, algorithmic and theoretical possibilities are opened by this approach and new applications are possible. Competition on equal term plus competition between market leader and followers are considered in this study, consequently bi-level optimization methodology is emphasized and further developed. This book provides insights regarding modeling complexity and algorithmic approaches to discrete competitive location problems. In traditional location modeling, assignment of customer demands to supply sources are made ...

  15. Discrete modelling of drapery systems

    Thoeni, Klaus; Giacomini, Anna

    2016-04-01

    Drapery systems are an efficient and cost-effective measure in preventing and controlling rockfall hazards on rock slopes. The simplest form consists of a row of ground anchors along the top of the slope connected to a horizontal support cable from which a wire mesh is suspended down the face of the slope. Such systems are generally referred to as simple or unsecured draperies (Badger and Duffy 2012). Variations such as secured draperies, where a pattern of ground anchors is incorporated within the field of the mesh, and hybrid systems, where the upper part of an unsecured drapery is elevated to intercept rockfalls originating upslope of the installation, are becoming more and more popular. This work presents a discrete element framework for simulation of unsecured drapery systems and its variations. The numerical model is based on the classical discrete element method (DEM) and implemented into the open-source framework YADE (Šmilauer et al., 2010). The model takes all relevant interactions between block, drapery and slope into account (Thoeni et al., 2014) and was calibrated and validated based on full-scale experiments (Giacomini et al., 2012).The block is modelled as a rigid clump made of spherical particles which allows any shape to be approximated. The drapery is represented by a set of spherical particle with remote interactions. The behaviour of the remote interactions is governed by the constitutive behaviour of the wire and generally corresponds to a piecewise linear stress-strain relation (Thoeni et al., 2013). The same concept is used to model wire ropes. The rock slope is represented by rigid triangular elements where material properties (e.g., normal coefficient of restitution, friction angle) are assigned to each triangle. The capabilities of the developed model to simulate drapery systems and estimate the residual hazard involved with such systems is shown. References Badger, T.C., Duffy, J.D. (2012) Drapery systems. In: Turner, A.K., Schuster R

  16. Emissions of Photonic Crystal Waveguides with Discretely Modulated Surfaces

    Dong-Hua, Tang; Li-Xue, Chen; Yan, Liu; Xiu-Dong, Sun; Wei-Qiang, Ding

    2009-01-01

    Transmission properties of photonic crystal (PC) waveguides with discretely modulated exit surfaces are investigated numerically using the unite-difference time-domain (FDTD) method. Unlike the case of periodically modulated surfaces, where the transmission beam tends to be a single and directional beam, when the exit surfaces are modulated only at several discrete points, the emission power tends to split into multiple and directional beams. We explain this phenomenon using a multiple point source interference model. Based on these results, we propose a 1-to-N beam splitter, and numerically realized high efficiency coupling between a PC sub-wavelength waveguide and three traditional dielectric waveguides with a total efficiency larger than 92%. This simple, easy fabrication, and controllable mechanism may find more potential applications in integrated optical circuits. (fundamental areas of phenomenology(including applications))

  17. Thermodynamic framework for discrete optimal control in multiphase flow systems

    Sieniutycz, Stanislaw

    1999-08-01

    Bellman's method of dynamic programming is used to synthesize diverse optimization approaches to active (work producing) and inactive (entropy generating) multiphase flow systems. Thermal machines, optimally controlled unit operations, nonlinear heat conduction, spontaneous relaxation processes, and self-propagating wave fronts are all shown to satisfy a discrete Hamilton-Jacobi-Bellman equation and a corresponding discrete optimization algorithm of Pontryagin's type, with the maximum principle for a Hamiltonian. The extremal structures are always canonical. A common unifying criterion is set for all considered systems, which is the criterion of a minimum generated entropy. It is shown that constraints can modify the entropy functionals in a different way for each group of the processes considered; thus the resulting structures of these functionals may differ significantly. Practical conclusions are formulated regarding the energy savings and energy policy in optimally controlled systems.

  18. A Discrete Spectral Problem and Related Hierarchy of Discrete Hamiltonian Lattice Equations

    Xu Xixiang; Cao Weili

    2007-01-01

    Staring from a discrete matrix spectral problem, a hierarchy of lattice soliton equations is presented though discrete zero curvature representation. The resulting lattice soliton equations possess non-local Lax pairs. The Hamiltonian structures are established for the resulting hierarchy by the discrete trace identity. Liouville integrability of resulting hierarchy is demonstrated.

  19. Geometry and Hamiltonian mechanics on discrete spaces

    Talasila, V; Clemente-Gallardo, J; Schaft, A J van der

    2004-01-01

    Numerical simulation is often crucial for analysing the behaviour of many complex systems which do not admit analytic solutions. To this end, one either converts a 'smooth' model into a discrete (in space and time) model, or models systems directly at a discrete level. The goal of this paper is to provide a discrete analogue of differential geometry, and to define on these discrete models a formal discrete Hamiltonian structure-in doing so we try to bring together various fundamental concepts from numerical analysis, differential geometry, algebraic geometry, simplicial homology and classical Hamiltonian mechanics. For example, the concept of a twisted derivation is borrowed from algebraic geometry for developing a discrete calculus. The theory is applied to a nonlinear pendulum and we compare the dynamics obtained through a discrete modelling approach with the dynamics obtained via the usual discretization procedures. Also an example of an energy-conserving algorithm on a simple harmonic oscillator is presented, and its effect on the Poisson structure is discussed

  20. Cuspidal discrete series for semisimple symmetric spaces

    Andersen, Nils Byrial; Flensted-Jensen, Mogens; Schlichtkrull, Henrik

    2012-01-01

    We propose a notion of cusp forms on semisimple symmetric spaces. We then study the real hyperbolic spaces in detail, and show that there exists both cuspidal and non-cuspidal discrete series. In particular, we show that all the spherical discrete series are non-cuspidal. (C) 2012 Elsevier Inc. All...

  1. Discrete Riccati equation solutions: Distributed algorithms

    D. G. Lainiotis

    1996-01-01

    Full Text Available In this paper new distributed algorithms for the solution of the discrete Riccati equation are introduced. The algorithms are used to provide robust and computational efficient solutions to the discrete Riccati equation. The proposed distributed algorithms are theoretically interesting and computationally attractive.

  2. Painleve test and discrete Boltzmann equations

    Euler, N.; Steeb, W.H.

    1989-01-01

    The Painleve test for various discrete Boltzmann equations is performed. The connection with integrability is discussed. Furthermore the Lie symmetry vector fields are derived and group-theoretical reduction of the discrete Boltzmann equations to ordinary differentiable equations is performed. Lie Backlund transformations are gained by performing the Painleve analysis for the ordinary differential equations. 16 refs

  3. Variance Swap Replication: Discrete or Continuous?

    Fabien Le Floc’h

    2018-02-01

    Full Text Available The popular replication formula to price variance swaps assumes continuity of traded option strikes. In practice, however, there is only a discrete set of option strikes traded on the market. We present here different discrete replication strategies and explain why the continuous replication price is more relevant.

  4. Discretization vs. Rounding Error in Euler's Method

    Borges, Carlos F.

    2011-01-01

    Euler's method for solving initial value problems is an excellent vehicle for observing the relationship between discretization error and rounding error in numerical computation. Reductions in stepsize, in order to decrease discretization error, necessarily increase the number of steps and so introduce additional rounding error. The problem is…

  5. Discrete/PWM Ballast-Resistor Controller

    King, Roger J.

    1994-01-01

    Circuit offers low switching loss and automatic compensation for failure of ballast resistor. Discrete/PWM ballast-resistor controller improved shunt voltage-regulator circuit designed to supply power from high-resistance source to low-impedance bus. Provides both coarse discrete voltage levels (by switching of ballast resistors) and continuous fine control of voltage via pulse-width modulation.

  6. Current Density and Continuity in Discretized Models

    Boykin, Timothy B.; Luisier, Mathieu; Klimeck, Gerhard

    2010-01-01

    Discrete approaches have long been used in numerical modelling of physical systems in both research and teaching. Discrete versions of the Schrodinger equation employing either one or several basis functions per mesh point are often used by senior undergraduates and beginning graduate students in computational physics projects. In studying…

  7. Geometry and Hamiltonian mechanics on discrete spaces

    Talasila, V.; Clemente-Gallardo, J.; Schaft, A.J. van der

    2004-01-01

    Numerical simulation is often crucial for analysing the behaviour of many complex systems which do not admit analytic solutions. To this end, one either converts a ‘smooth’ model into a discrete (in space and time) model, or models systems directly at a discrete level. The goal of this paper is to

  8. Geometry and Hamiltonian mechanics on discrete spaces

    Talasila, V.; Clemente Gallardo, J.J.; Clemente-Gallardo, J.; van der Schaft, Arjan

    2004-01-01

    Numerical simulation is often crucial for analysing the behaviour of many complex systems which do not admit analytic solutions. To this end, one either converts a 'smooth' model into a discrete (in space and time) model, or models systems directly at a discrete level. The goal of this paper is to

  9. Discrete mathematics in the high school curriculum

    Anderson, I.; Asch, van A.G.; van Lint, J.H.

    2004-01-01

    In this paper we present some topics from the field of discrete mathematics which might be suitable for the high school curriculum. These topics yield both easy to understand challenging problems and important applications of discrete mathematics. We choose elements from number theory and various

  10. Discrete Fourier analysis of multigrid algorithms

    van der Vegt, Jacobus J.W.; Rhebergen, Sander

    2011-01-01

    The main topic of this report is a detailed discussion of the discrete Fourier multilevel analysis of multigrid algorithms. First, a brief overview of multigrid methods is given for discretizations of both linear and nonlinear partial differential equations. Special attention is given to the

  11. Handbook on modelling for discrete optimization

    Pitsoulis, Leonidas; Williams, H

    2006-01-01

    The primary objective underlying the Handbook on Modelling for Discrete Optimization is to demonstrate and detail the pervasive nature of Discrete Optimization. While its applications cut across an incredibly wide range of activities, many of the applications are only known to specialists. It is the aim of this handbook to correct this. It has long been recognized that "modelling" is a critically important mathematical activity in designing algorithms for solving these discrete optimization problems. Nevertheless solving the resultant models is also often far from straightforward. In recent years it has become possible to solve many large-scale discrete optimization problems. However, some problems remain a challenge, even though advances in mathematical methods, hardware, and software technology have pushed the frontiers forward. This handbook couples the difficult, critical-thinking aspects of mathematical modeling with the hot area of discrete optimization. It will be done in an academic handbook treatment...

  12. Discrete elements method of neutral particle transport

    Mathews, K.A.

    1983-01-01

    A new discrete elements (L/sub N/) transport method is derived and compared to the discrete ordinates S/sub N/ method, theoretically and by numerical experimentation. The discrete elements method is more accurate than discrete ordinates and strongly ameliorates ray effects for the practical problems studied. The discrete elements method is shown to be more cost effective, in terms of execution time with comparable storage to attain the same accuracy, for a one-dimensional test case using linear characteristic spatial quadrature. In a two-dimensional test case, a vacuum duct in a shield, L/sub N/ is more consistently convergent toward a Monte Carlo benchmark solution than S/sub N/, using step characteristic spatial quadrature. An analysis of the interaction of angular and spatial quadrature in xy-geometry indicates the desirability of using linear characteristic spatial quadrature with the L/sub N/ method

  13. Spatially localized, temporally quasiperiodic, discrete nonlinear excitations

    Cai, D.; Bishop, A.R.; Gronbech-Jensen, N.

    1995-01-01

    In contrast to the commonly discussed discrete breather, which is a spatially localized, time-periodic solution, we present an exact solution of a discrete nonlinear Schroedinger breather which is a spatially localized, temporally quasiperiodic nonlinear coherent excitation. This breather is a multiple-soliton solution in the sense of the inverse scattering transform. A discrete breather of multiple frequencies is conceptually important in studies of nonlinear lattice systems. We point out that, for this breather, the incommensurability of its frequencies is a discrete lattice effect and these frequencies become commensurate in the continuum limit. To understand the dynamical properties of the breather, we also discuss its stability and its behavior in the presence of an external potential. Finally, we indicate how to obtain an exact N-soliton breather as a discrete generalization of the continuum multiple-soliton solution

  14. Laplacians on discrete and quantum geometries

    Calcagni, Gianluca; Oriti, Daniele; Thürigen, Johannes

    2013-01-01

    We extend discrete calculus for arbitrary (p-form) fields on embedded lattices to abstract discrete geometries based on combinatorial complexes. We then provide a general definition of discrete Laplacian using both the primal cellular complex and its combinatorial dual. The precise implementation of geometric volume factors is not unique and, comparing the definition with a circumcentric and a barycentric dual, we argue that the latter is, in general, more appropriate because it induces a Laplacian with more desirable properties. We give the expression of the discrete Laplacian in several different sets of geometric variables, suitable for computations in different quantum gravity formalisms. Furthermore, we investigate the possibility of transforming from position to momentum space for scalar fields, thus setting the stage for the calculation of heat kernel and spectral dimension in discrete quantum geometries. (paper)

  15. Discrete breathers in graphane: Effect of temperature

    Baimova, J. A., E-mail: julia.a.baimova@gmail.com [Russian Academy of Sciences, Institute of Metal Physics, Ural Branch (Russian Federation); Murzaev, R. T.; Lobzenko, I. P.; Dmitriev, S. V. [Russian Academy of Sciences, Institute for Metals Superplasticity Problems (Russian Federation); Zhou, Kun [Nanyang Technological University, School of Mechanical and Aerospace Engineering (Singapore)

    2016-05-15

    The discrete breathers in graphane in thermodynamic equilibrium in the temperature range 50–600 K are studied by molecular dynamics simulation. A discrete breather is a hydrogen atom vibrating along the normal to a sheet of graphane at a high amplitude. As was found earlier, the lifetime of a discrete breather at zero temperature corresponds to several tens of thousands of vibrations. The effect of temperature on the decay time of discrete breathers and the probability of their detachment from a sheet of graphane are studied in this work. It is shown that closely spaced breathers can exchange energy with each other at zero temperature. The data obtained suggest that thermally activated discrete breathers can be involved in the dehydrogenation of graphane, which is important for hydrogen energetics.

  16. Chaotic properties between the nonintegrable discrete nonlinear Schroedinger equation and a nonintegrable discrete Heisenberg model

    Ding Qing

    2007-01-01

    We prove that the integrable-nonintegrable discrete nonlinear Schroedinger equation (AL-DNLS) introduced by Cai, Bishop and Gronbech-Jensen (Phys. Rev. Lett. 72 591(1994)) is the discrete gauge equivalent to an integrable-nonintegrable discrete Heisenberg model from the geometric point of view. Then we study whether the transmission and bifurcation properties of the AL-DNLS equation are preserved under the action of discrete gauge transformations. Our results reveal that the transmission property of the AL-DNLS equation is completely preserved and the bifurcation property is conditionally preserved to those of the integrable-nonintegrable discrete Heisenberg model

  17. Compatible Spatial Discretizations for Partial Differential Equations

    Arnold, Douglas, N, ed.

    2004-11-25

    From May 11--15, 2004, the Institute for Mathematics and its Applications held a hot topics workshop on Compatible Spatial Discretizations for Partial Differential Equations. The numerical solution of partial differential equations (PDE) is a fundamental task in science and engineering. The goal of the workshop was to bring together a spectrum of scientists at the forefront of the research in the numerical solution of PDEs to discuss compatible spatial discretizations. We define compatible spatial discretizations as those that inherit or mimic fundamental properties of the PDE such as topology, conservation, symmetries, and positivity structures and maximum principles. A wide variety of discretization methods applied across a wide range of scientific and engineering applications have been designed to or found to inherit or mimic intrinsic spatial structure and reproduce fundamental properties of the solution of the continuous PDE model at the finite dimensional level. A profusion of such methods and concepts relevant to understanding them have been developed and explored: mixed finite element methods, mimetic finite differences, support operator methods, control volume methods, discrete differential forms, Whitney forms, conservative differencing, discrete Hodge operators, discrete Helmholtz decomposition, finite integration techniques, staggered grid and dual grid methods, etc. This workshop seeks to foster communication among the diverse groups of researchers designing, applying, and studying such methods as well as researchers involved in practical solution of large scale problems that may benefit from advancements in such discretizations; to help elucidate the relations between the different methods and concepts; and to generally advance our understanding in the area of compatible spatial discretization methods for PDE. Particular points of emphasis included: + Identification of intrinsic properties of PDE models that are critical for the fidelity of numerical

  18. The discrete cones method for two-dimensional neutron transport calculations

    Watanabe, Y.; Maynard, C.W.

    1986-01-01

    A novel method, the discrete cones method (DC/sub N/), is proposed as an alternative to the discrete ordinates method (S/sub N/) for solutions of the two-dimensional neutron transport equation. The new method utilizes a new concept, discrete cones, which are made by partitioning a unit spherical surface that the direction vector of particles covers. In this method particles in a cone are simultaneously traced instead of those in discrete directions so that an anomaly of the S/sub N/ method, the ray effects, can be eliminated. The DC/sub N/ method has been formulated for X-Y geometry and a program has been creaed by modifying the standard S/sub N/ program TWOTRAN-II. Our sample calculations demonstrate a strong mitigation of the ray effects without a computing cost penalty

  19. Discrete mathematics in deaf education: a survey of teachers' knowledge and use.

    Pagliaro, Claudia M; Kritzer, Karen L

    The study documents what deaf education teachers know about discrete mathematics topics and determines if these topics are present in the mathematics curriculum. Survey data were collected from 290 mathematics teachers at center and public school programs serving a minimum of 120 students with hearing loss, grades K-8 or K-12, in the United States. Findings indicate that deaf education teachers are familiar with many discrete mathematics topics but do not include them in instruction because they consider the concepts too complicated for their students. Also, regardless of familiarity level, deaf education teachers are not familiar with discrete mathematics terminology; nor is their mathematics teaching structured to provide opportunities to apply the real-world-oriented activities used in discrete mathematics instruction. Findings emphasize the need for higher expectations of students with hearing loss, and for reform in mathematics curriculum and instruction within deaf education.

  20. Perfect discretization of reparametrization invariant path integrals

    Bahr, Benjamin; Dittrich, Bianca; Steinhaus, Sebastian

    2011-01-01

    To obtain a well-defined path integral one often employs discretizations. In the case of gravity and reparametrization-invariant systems, the latter of which we consider here as a toy example, discretizations generically break diffeomorphism and reparametrization symmetry, respectively. This has severe implications, as these symmetries determine the dynamics of the corresponding system. Indeed we will show that a discretized path integral with reparametrization-invariance is necessarily also discretization independent and therefore uniquely determined by the corresponding continuum quantum mechanical propagator. We use this insight to develop an iterative method for constructing such a discretized path integral, akin to a Wilsonian RG flow. This allows us to address the problem of discretization ambiguities and of an anomaly-free path integral measure for such systems. The latter is needed to obtain a path integral, that can act as a projector onto the physical states, satisfying the quantum constraints. We will comment on implications for discrete quantum gravity models, such as spin foams.

  1. Perfect discretization of reparametrization invariant path integrals

    Bahr, Benjamin; Dittrich, Bianca; Steinhaus, Sebastian

    2011-05-01

    To obtain a well-defined path integral one often employs discretizations. In the case of gravity and reparametrization-invariant systems, the latter of which we consider here as a toy example, discretizations generically break diffeomorphism and reparametrization symmetry, respectively. This has severe implications, as these symmetries determine the dynamics of the corresponding system. Indeed we will show that a discretized path integral with reparametrization-invariance is necessarily also discretization independent and therefore uniquely determined by the corresponding continuum quantum mechanical propagator. We use this insight to develop an iterative method for constructing such a discretized path integral, akin to a Wilsonian RG flow. This allows us to address the problem of discretization ambiguities and of an anomaly-free path integral measure for such systems. The latter is needed to obtain a path integral, that can act as a projector onto the physical states, satisfying the quantum constraints. We will comment on implications for discrete quantum gravity models, such as spin foams.

  2. Higher dimensional discrete Cheeger inequalities

    Anna Gundert

    2015-01-01

    Full Text Available For graphs there exists a strong connection between spectral and combinatorial expansion properties. This is expressed, e.g., by the discrete Cheeger inequality, the lower bound of which states that $\\lambda(G \\leq h(G$, where $\\lambda(G$ is the second smallest eigenvalue of the Laplacian of a graph $G$ and $h(G$ is the Cheeger constant measuring the edge expansion of $G$. We are interested in generalizations of expansion properties to finite simplicial complexes of higher dimension (or uniform hypergraphs. Whereas higher dimensional Laplacians were introduced already in 1945 by Eckmann, the generalization of edge expansion to simplicial complexes is not straightforward. Recently, a topologically motivated notion analogous to edge expansion that is based on $\\mathbb{Z}_2$-cohomology was introduced by Gromov and independently by Linial, Meshulam and Wallach. It is known that for this generalization there is no direct higher dimensional analogue of the lower bound of the Cheeger inequality. A different, combinatorially motivated generalization of the Cheeger constant, denoted by $h(X$, was studied by Parzanchevski, Rosenthal and Tessler. They showed that indeed $\\lambda(X \\leq h(X$, where $\\lambda(X$ is the smallest non-trivial eigenvalue of the ($(k-1$-dimensional upper Laplacian, for the case of $k$-dimensional simplicial complexes $X$ with complete $(k-1$-skeleton. Whether this inequality also holds for $k$-dimensional complexes with non-com\\-plete$(k-1$-skeleton has been an open question.We give two proofs of the inequality for arbitrary complexes. The proofs differ strongly in the methods and structures employed,and each allows for a different kind of additional strengthening of the original result.

  3. Resonance and web structure in discrete soliton systems: the two-dimensional Toda lattice and its fully discrete and ultra-discrete analogues

    Maruno, Ken-ichi; Biondini, Gino

    2004-01-01

    We present a class of solutions of the two-dimensional Toda lattice equation, its fully discrete analogue and its ultra-discrete limit. These solutions demonstrate the existence of soliton resonance and web-like structure in discrete integrable systems such as differential-difference equations, difference equations and cellular automata (ultra-discrete equations)

  4. Hairs of discrete symmetries and gravity

    Choi, Kang Sin [Scranton Honors Program, Ewha Womans University, Seodaemun-Gu, Seoul 03760 (Korea, Republic of); Center for Fields, Gravity and Strings, CTPU, Institute for Basic Sciences, Yuseong-Gu, Daejeon 34047 (Korea, Republic of); Kim, Jihn E., E-mail: jihnekim@gmail.com [Department of Physics, Kyung Hee University, 26 Gyungheedaero, Dongdaemun-Gu, Seoul 02447 (Korea, Republic of); Center for Axion and Precision Physics Research (IBS), 291 Daehakro, Yuseong-Gu, Daejeon 34141 (Korea, Republic of); Kyae, Bumseok [Department of Physics, Pusan National University, 2 Busandaehakro-63-Gil, Geumjeong-Gu, Busan 46241 (Korea, Republic of); Nam, Soonkeon [Department of Physics, Kyung Hee University, 26 Gyungheedaero, Dongdaemun-Gu, Seoul 02447 (Korea, Republic of)

    2017-06-10

    Gauge symmetries are known to be respected by gravity because gauge charges carry flux lines, but global charges do not carry flux lines and are not conserved by gravitational interaction. For discrete symmetries, they are spontaneously broken in the Universe, forming domain walls. Since the realization of discrete symmetries in the Universe must involve the vacuum expectation values of Higgs fields, a string-like configuration (hair) at the intersection of domain walls in the Higgs vacua can be realized. Therefore, we argue that discrete charges are also respected by gravity.

  5. Hairs of discrete symmetries and gravity

    Kang Sin Choi

    2017-06-01

    Full Text Available Gauge symmetries are known to be respected by gravity because gauge charges carry flux lines, but global charges do not carry flux lines and are not conserved by gravitational interaction. For discrete symmetries, they are spontaneously broken in the Universe, forming domain walls. Since the realization of discrete symmetries in the Universe must involve the vacuum expectation values of Higgs fields, a string-like configuration (hair at the intersection of domain walls in the Higgs vacua can be realized. Therefore, we argue that discrete charges are also respected by gravity.

  6. Discrete Morse functions for graph configuration spaces

    Sawicki, A

    2012-01-01

    We present an alternative application of discrete Morse theory for two-particle graph configuration spaces. In contrast to previous constructions, which are based on discrete Morse vector fields, our approach is through Morse functions, which have a nice physical interpretation as two-body potentials constructed from one-body potentials. We also give a brief introduction to discrete Morse theory. Our motivation comes from the problem of quantum statistics for particles on networks, for which generalized versions of anyon statistics can appear. (paper)

  7. Discrete Tomography and Imaging of Polycrystalline Structures

    Alpers, Andreas

    High resolution transmission electron microscopy is commonly considered as the standard application for discrete tomography. While this has yet to be technically realized, new applications with a similar flavor have emerged in materials science. In our group at Ris� DTU (Denmark's National...... Laboratory for Sustainable Energy), for instance, we study polycrystalline materials via synchrotron X-ray diffraction. Several reconstruction problems arise, most of them exhibit inherently discrete aspects. In this talk I want to give a concise mathematical introduction to some of these reconstruction...... problems. Special focus is on their relationship to classical discrete tomography. Several open mathematical questions will be mentioned along the way....

  8. Ensemble simulations with discrete classical dynamics

    Toxværd, Søren

    2013-01-01

    For discrete classical Molecular dynamics (MD) obtained by the "Verlet" algorithm (VA) with the time increment $h$ there exist a shadow Hamiltonian $\\tilde{H}$ with energy $\\tilde{E}(h)$, for which the discrete particle positions lie on the analytic trajectories for $\\tilde{H}$. $\\tilde......{E}(h)$ is employed to determine the relation with the corresponding energy, $E$ for the analytic dynamics with $h=0$ and the zero-order estimate $E_0(h)$ of the energy for discrete dynamics, appearing in the literature for MD with VA. We derive a corresponding time reversible VA algorithm for canonical dynamics...

  9. Stochastic Kuramoto oscillators with discrete phase states

    Jörg, David J.

    2017-09-01

    We present a generalization of the Kuramoto phase oscillator model in which phases advance in discrete phase increments through Poisson processes, rendering both intrinsic oscillations and coupling inherently stochastic. We study the effects of phase discretization on the synchronization and precision properties of the coupled system both analytically and numerically. Remarkably, many key observables such as the steady-state synchrony and the quality of oscillations show distinct extrema while converging to the classical Kuramoto model in the limit of a continuous phase. The phase-discretized model provides a general framework for coupled oscillations in a Markov chain setting.

  10. Stochastic Kuramoto oscillators with discrete phase states.

    Jörg, David J

    2017-09-01

    We present a generalization of the Kuramoto phase oscillator model in which phases advance in discrete phase increments through Poisson processes, rendering both intrinsic oscillations and coupling inherently stochastic. We study the effects of phase discretization on the synchronization and precision properties of the coupled system both analytically and numerically. Remarkably, many key observables such as the steady-state synchrony and the quality of oscillations show distinct extrema while converging to the classical Kuramoto model in the limit of a continuous phase. The phase-discretized model provides a general framework for coupled oscillations in a Markov chain setting.

  11. Discrete-Time Biomedical Signal Encryption

    Victor Grigoraş

    2017-12-01

    Full Text Available Chaotic modulation is a strong method of improving communication security. Analog and discrete chaotic systems are presented in actual literature. Due to the expansion of digital communication, discrete-time systems become more efficient and closer to actual technology. The present contribution offers an in-depth analysis of the effects chaos encryption produce on 1D and 2D biomedical signals. The performed simulations show that modulating signals are precisely recovered by the synchronizing receiver if discrete systems are digitally implemented and the coefficients precisely correspond. Channel noise is also applied and its effects on biomedical signal demodulation are highlighted.

  12. Discrete symmetries and de Sitter spacetime

    Cotăescu, Ion I., E-mail: gpascu@physics.uvt.ro; Pascu, Gabriel, E-mail: gpascu@physics.uvt.ro [West University of Timişoara, V. Pârvan Ave. 4, RO-300223 Timişoara (Romania)

    2014-11-24

    Aspects of the ambiguity in defining quantum modes on de Sitter spacetime using a commuting system composed only of differential operators are discussed. Discrete symmetries and their actions on the wavefunction in commonly used coordinate charts are reviewed. It is argued that the system of commuting operators can be supplemented by requiring the invariance of the wavefunction to combined discrete symmetries- a criterion which selects a single state out of the α-vacuum family. Two such members of this family are singled out by particular combined discrete symmetries- states between which exists a well-known thermality relation.

  13. A discrete fibre dispersion method for excluding fibres under compression in the modelling of fibrous tissues.

    Li, Kewei; Ogden, Ray W; Holzapfel, Gerhard A

    2018-01-01

    Recently, micro-sphere-based methods derived from the angular integration approach have been used for excluding fibres under compression in the modelling of soft biological tissues. However, recent studies have revealed that many of the widely used numerical integration schemes over the unit sphere are inaccurate for large deformation problems even without excluding fibres under compression. Thus, in this study, we propose a discrete fibre dispersion model based on a systematic method for discretizing a unit hemisphere into a finite number of elementary areas, such as spherical triangles. Over each elementary area, we define a representative fibre direction and a discrete fibre density. Then, the strain energy of all the fibres distributed over each elementary area is approximated based on the deformation of the representative fibre direction weighted by the corresponding discrete fibre density. A summation of fibre contributions over all elementary areas then yields the resultant fibre strain energy. This treatment allows us to exclude fibres under compression in a discrete manner by evaluating the tension-compression status of the representative fibre directions only. We have implemented this model in a finite-element programme and illustrate it with three representative examples, including simple tension and simple shear of a unit cube, and non-homogeneous uniaxial extension of a rectangular strip. The results of all three examples are consistent and accurate compared with the previously developed continuous fibre dispersion model, and that is achieved with a substantial reduction of computational cost. © 2018 The Author(s).

  14. Exterior difference systems and invariance properties of discrete mechanics

    Xie Zheng; Xie Duanqiang; Li Hongbo

    2008-01-01

    Invariance properties describe the fundamental physical laws in discrete mechanics. Can those properties be described in a geometric way? We investigate an exterior difference system called the discrete Euler-Lagrange system, whose solution has one-to-one correspondence with solutions of discrete Euler-Lagrange equations, and use it to define the first integrals. The preservation of the discrete symplectic form along the discrete Hamilton phase flows and the discrete Noether's theorem is also described in the language of difference forms

  15. On organizing principles of discrete differential geometry. Geometry of spheres

    Bobenko, Alexander I; Suris, Yury B

    2007-01-01

    Discrete differential geometry aims to develop discrete equivalents of the geometric notions and methods of classical differential geometry. This survey contains a discussion of the following two fundamental discretization principles: the transformation group principle (smooth geometric objects and their discretizations are invariant with respect to the same transformation group) and the consistency principle (discretizations of smooth parametrized geometries can be extended to multidimensional consistent nets). The main concrete geometric problem treated here is discretization of curvature-line parametrized surfaces in Lie geometry. Systematic use of the discretization principles leads to a discretization of curvature-line parametrization which unifies circular and conical nets.

  16. Can time be a discrete dynamical variable

    Lee, T.D.

    1983-01-01

    The possibility that time can be regarded as a discrete dynamical variable is examined through all phases of mechanics: from classical mechanics to nonrelativistic quantum mechanics, and to relativistic quantum field theories. (orig.)

  17. Local discrete symmetries from superstring derived models

    Faraggi, A.E.

    1996-10-01

    Discrete and global symmetries play an essential role in many extensions of the Standard Model, for example, to preserve the proton lifetime, to prevent flavor changing neutral currents, etc. An important question is how can such symmetries survive in a theory of quantum gravity, like superstring theory. In a specific string model the author illustrates how local discrete symmetries may arise in string models and play an important role in preventing fast proton decay and flavor changing neutral currents. The local discrete symmetry arises due to the breaking of the non-Abelian gauge symmetries by Wilson lines in the superstring models and forbids, for example dimension five operators which mediate rapid proton decay, to all orders of nonrenormalizable terms. In the context of models of unification of the gauge and gravitational interactions, it is precisely this type of local discrete symmetries that must be found in order to insure that a given model is not in conflict with experimental observations

  18. Breatherlike impurity modes in discrete nonlinear lattices

    Hennig, D.; Rasmussen, Kim; Tsironis, G. P.

    1995-01-01

    We investigate the properties of a disordered generalized discrete nonlinear Schrodinger equation, containing both diagonal and nondiagonal nonlinear terms. The equation models a Linear host lattice doped with nonlinear impurities. We find different types of impurity states that form itinerant...

  19. Inferring gene networks from discrete expression data

    Zhang, L.; Mallick, B. K.

    2013-01-01

    graphical models applied to continuous data, which give a closedformmarginal likelihood. In this paper,we extend network modeling to discrete data, specifically data from serial analysis of gene expression, and RNA-sequencing experiments, both of which

  20. A discrete control model of PLANT

    Mitchell, C. M.

    1985-01-01

    A model of the PLANT system using the discrete control modeling techniques developed by Miller is described. Discrete control models attempt to represent in a mathematical form how a human operator might decompose a complex system into simpler parts and how the control actions and system configuration are coordinated so that acceptable overall system performance is achieved. Basic questions include knowledge representation, information flow, and decision making in complex systems. The structure of the model is a general hierarchical/heterarchical scheme which structurally accounts for coordination and dynamic focus of attention. Mathematically, the discrete control model is defined in terms of a network of finite state systems. Specifically, the discrete control model accounts for how specific control actions are selected from information about the controlled system, the environment, and the context of the situation. The objective is to provide a plausible and empirically testable accounting and, if possible, explanation of control behavior.

  1. Running Parallel Discrete Event Simulators on Sierra

    Barnes, P. D. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Jefferson, D. R. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2015-12-03

    In this proposal we consider porting the ROSS/Charm++ simulator and the discrete event models that run under its control so that they run on the Sierra architecture and make efficient use of the Volta GPUs.

  2. Effective Hamiltonian for travelling discrete breathers

    MacKay, Robert S.; Sepulchre, Jacques-Alexandre

    2002-05-01

    Hamiltonian chains of oscillators in general probably do not sustain exact travelling discrete breathers. However solutions which look like moving discrete breathers for some time are not difficult to observe in numerics. In this paper we propose an abstract framework for the description of approximate travelling discrete breathers in Hamiltonian chains of oscillators. The method is based on the construction of an effective Hamiltonian enabling one to describe the dynamics of the translation degree of freedom of moving breathers. Error estimate on the approximate dynamics is also studied. The concept of the Peierls-Nabarro barrier can be made clear in this framework. We illustrate the method with two simple examples, namely the Salerno model which interpolates between the Ablowitz-Ladik lattice and the discrete nonlinear Schrödinger system, and the Fermi-Pasta-Ulam chain.

  3. Comparing the Discrete and Continuous Logistic Models

    Gordon, Sheldon P.

    2008-01-01

    The solutions of the discrete logistic growth model based on a difference equation and the continuous logistic growth model based on a differential equation are compared and contrasted. The investigation is conducted using a dynamic interactive spreadsheet. (Contains 5 figures.)

  4. Discrete-time nonlinear sliding mode controller

    user

    Keywords: Discrete-time delay system, Sliding mode control, nonlinear sliding ... of engineering systems such as chemical process control, delay in the actuator ...... instrumentation from Motilal Nehru National Institute of Technology (MNNIT),.

  5. Rich dynamics of discrete delay ecological models

    Peng Mingshu

    2005-01-01

    We study multiple bifurcations and chaotic behavior of a discrete delay ecological model. New form of chaos for the 2-D map is observed: the combination of potential period doubling and reverse period-doubling leads to cascading bubbles

  6. Discrete and Continuous Models for Partitioning Problems

    Lellmann, Jan; Lellmann, Bjö rn; Widmann, Florian; Schnö rr, Christoph

    2013-01-01

    -based techniques. This work is concerned with the sources of such artifacts. We discuss the importance of differentiating between artifacts caused by discretization and those caused by relaxation and provide supporting numerical examples. Moreover, we consider

  7. Memorized discrete systems and time-delay

    Luo, Albert C J

    2017-01-01

    This book examines discrete dynamical systems with memory—nonlinear systems that exist extensively in biological organisms and financial and economic organizations, and time-delay systems that can be discretized into the memorized, discrete dynamical systems. It book further discusses stability and bifurcations of time-delay dynamical systems that can be investigated through memorized dynamical systems as well as bifurcations of memorized nonlinear dynamical systems, discretization methods of time-delay systems, and periodic motions to chaos in nonlinear time-delay systems. The book helps readers find analytical solutions of MDS, change traditional perturbation analysis in time-delay systems, detect motion complexity and singularity in MDS; and determine stability, bifurcation, and chaos in any time-delay system.

  8. Testing Preference Axioms in Discrete Choice experiments

    Hougaard, Jens Leth; Østerdal, Lars Peter; Tjur, Tue

    Recent studies have tested the preference axioms of completeness and transitivity, and have detected other preference phenomena such as unstability, learning- and tiredness effects, ordering effects and dominance, in stated preference discrete choice experiments. However, it has not been explicitly...... of the preference axioms and other preference phenomena in the context of stated preference discrete choice experiments, and examine whether or how these can be subject to meaningful (statistical) tests...

  9. Quadratic Term Structure Models in Discrete Time

    Marco Realdon

    2006-01-01

    This paper extends the results on quadratic term structure models in continuos time to the discrete time setting. The continuos time setting can be seen as a special case of the discrete time one. Recursive closed form solutions for zero coupon bonds are provided even in the presence of multiple correlated underlying factors. Pricing bond options requires simple integration. Model parameters may well be time dependent without scuppering such tractability. Model estimation does not require a r...

  10. Symmetries in discrete-time mechanics

    Khorrami, M.

    1996-01-01

    Based on a general formulation for discrete-time quantum mechanics, introduced by M. Khorrami (Annals Phys. 224 (1995), 101), symmetries in discrete-time quantum mechanics are investigated. It is shown that any classical continuous symmetry leads to a conserved quantity in classical mechanics, as well as quantum mechanics. The transformed wave function, however, has the correct evolution if and only if the symmetry is nonanomalous. Copyright copyright 1996 Academic Press, Inc

  11. Nonlinear integrodifferential equations as discrete systems

    Tamizhmani, K. M.; Satsuma, J.; Grammaticos, B.; Ramani, A.

    1999-06-01

    We analyse a class of integrodifferential equations of the `intermediate long wave' (ILW) type. We show that these equations can be formally interpreted as discrete, differential-difference systems. This allows us to link equations of this type with previous results of ours involving differential-delay equations and, on the basis of this, propose new integrable equations of ILW type. Finally, we extend this approach to pure difference equations and propose ILW forms for the discrete lattice KdV equation.

  12. Definable maximal discrete sets in forcing extensions

    Törnquist, Asger Dag; Schrittesser, David

    2018-01-01

    Let  be a Σ11 binary relation, and recall that a set A is -discrete if no two elements of A are related by . We show that in the Sacks and Miller forcing extensions of L there is a Δ12 maximal -discrete set. We use this to answer in the negative the main question posed in [5] by showing...

  13. Application of multivariate splines to discrete mathematics

    Xu, Zhiqiang

    2005-01-01

    Using methods developed in multivariate splines, we present an explicit formula for discrete truncated powers, which are defined as the number of non-negative integer solutions of linear Diophantine equations. We further use the formula to study some classical problems in discrete mathematics as follows. First, we extend the partition function of integers in number theory. Second, we exploit the relation between the relative volume of convex polytopes and multivariate truncated powers and giv...

  14. Discrete symmetries and solar neutrino mixing

    Kapetanakis, D.; Mayr, P.; Nilles, H.P. (Physik Dept., Technische Univ. Muenchen, Garching (Germany) Max-Planck-Inst. fuer Physik, Werner-Heisenberg-Inst., Muenchen (Germany))

    1992-05-21

    We study the question of resonant solar neutrino mixing in the framework of the supersymmetric extension of the standard model. Discrete symmetries that are consistent with solar neutrino mixing and proton stability are classified. In the minimal model they are shown to lead to two distinct patterns of allowed dimension-four operators. Imposing anomaly freedom, only three different discrete Z{sub N}-symmetries (with N=2, 3, 6) are found to be phenomenologically acceptable. (orig.).

  15. Discrete symmetries and solar neutrino mixing

    Kapetanakis, D.; Mayr, P.; Nilles, H.P.

    1992-01-01

    We study the question of resonant solar neutrino mixing in the framework of the supersymmetric extension of the standard model. Discrete symmetries that are consistent with solar neutrino mixing and proton stability are classified. In the minimal model they are shown to lead to two distinct patterns of allowed dimension-four operators. Imposing anomaly freedom, only three different discrete Z N -symmetries (with N=2, 3, 6) are found to be phenomenologically acceptable. (orig.)

  16. Discrete symmetries and coset space dimensional reduction

    Kapetanakis, D.; Zoupanos, G.

    1989-01-01

    We consider the discrete symmetries of all the six-dimensional coset spaces and we apply them in gauge theories defined in ten dimensions which are dimensionally reduced over these homogeneous spaces. Particular emphasis is given in the consequences of the discrete symmetries on the particle content as well as on the symmetry breaking a la Hosotani of the resulting four-dimensional theory. (orig.)

  17. On discrete models of space-time

    Horzela, A.; Kempczynski, J.; Kapuscik, E.; Georgia Univ., Athens, GA; Uzes, Ch.

    1992-02-01

    Analyzing the Einstein radiolocation method we come to the conclusion that results of any measurement of space-time coordinates should be expressed in terms of rational numbers. We show that this property is Lorentz invariant and may be used in the construction of discrete models of space-time different from the models of the lattice type constructed in the process of discretization of continuous models. (author)

  18. Discrete approximations to vector spin models

    Van Enter, Aernout C D [University of Groningen, Johann Bernoulli Institute of Mathematics and Computing Science, Postbus 407, 9700 AK Groningen (Netherlands); Kuelske, Christof [Ruhr-Universitaet Bochum, Fakultaet fuer Mathematik, D44801 Bochum (Germany); Opoku, Alex A, E-mail: A.C.D.v.Enter@math.rug.nl, E-mail: Christof.Kuelske@ruhr-uni-bochum.de, E-mail: opoku@math.leidenuniv.nl [Mathematisch Instituut, Universiteit Leiden, Postbus 9512, 2300 RA, Leiden (Netherlands)

    2011-11-25

    We strengthen a result from Kuelske and Opoku (2008 Electron. J. Probab. 13 1307-44) on the existence of effective interactions for discretized continuous-spin models. We also point out that such an interaction cannot exist at very low temperatures. Moreover, we compare two ways of discretizing continuous-spin models, and show that except for very low temperatures, they behave similarly in two dimensions. We also discuss some possibilities in higher dimensions. (paper)

  19. Discrete approximations to vector spin models

    Van Enter, Aernout C D; Külske, Christof; Opoku, Alex A

    2011-01-01

    We strengthen a result from Külske and Opoku (2008 Electron. J. Probab. 13 1307–44) on the existence of effective interactions for discretized continuous-spin models. We also point out that such an interaction cannot exist at very low temperatures. Moreover, we compare two ways of discretizing continuous-spin models, and show that except for very low temperatures, they behave similarly in two dimensions. We also discuss some possibilities in higher dimensions. (paper)

  20. A study of discrete nonlinear systems

    Dhillon, H.S.

    2001-04-01

    An investigation of various spatially discrete time-independent nonlinear models was undertaken. These models are generically applicable to many different physical systems including electron-phonon interactions in solids, magnetic multilayers, layered superconductors and classical lattice systems. To characterise the possible magnetic structures created on magnetic multilayers a model has been formulated and studied. The Euler-Lagrange equation for this model is a discrete version of the Sine-Gordon equation. Solutions of this equation are generated by applying the methods of Chaotic Dynamics - treating the space variable associated with the layer number as a discrete time variable. The states found indicate periodic, quasiperiodic and chaotic structures. Analytic solutions to the discrete nonlinear Schroedinger Equation (DNSE) with cubic nonlinearity are presented in the strong coupling limit. Using these as a starting point, a procedure is developed to determine the wave function and the energy eigenvalue for moderate coupling. The energy eigenvalues of the different structures of the wave function are found to be in excellent agreement with the exact strong coupling result. The solutions to the DNSE indicate commensurate and incommensurate spatial structures associated with different localisation patterns of the wave function. The states which arise may be fractal, periodic, quasiperiodic or chaotic. This work is then extended to solve a first order discrete nonlinear equation. The exact solutions for both the first and second order discrete nonlinear equations with cubic nonlinearity suggests that this method of studying discrete nonlinear equations may be applied to solve discrete equations with any order difference and cubic nonlinearity. (author)

  1. Discrete exterior calculus discretization of incompressible Navier–Stokes equations over surface simplicial meshes

    Mohamed, Mamdouh S.

    2016-02-11

    A conservative discretization of incompressible Navier–Stokes equations is developed based on discrete exterior calculus (DEC). A distinguishing feature of our method is the use of an algebraic discretization of the interior product operator and a combinatorial discretization of the wedge product. The governing equations are first rewritten using the exterior calculus notation, replacing vector calculus differential operators by the exterior derivative, Hodge star and wedge product operators. The discretization is then carried out by substituting with the corresponding discrete operators based on the DEC framework. Numerical experiments for flows over surfaces reveal a second order accuracy for the developed scheme when using structured-triangular meshes, and first order accuracy for otherwise unstructured meshes. By construction, the method is conservative in that both mass and vorticity are conserved up to machine precision. The relative error in kinetic energy for inviscid flow test cases converges in a second order fashion with both the mesh size and the time step.

  2. Discrete exterior calculus discretization of incompressible Navier-Stokes equations over surface simplicial meshes

    Mohamed, Mamdouh S.; Hirani, Anil N.; Samtaney, Ravi

    2016-05-01

    A conservative discretization of incompressible Navier-Stokes equations is developed based on discrete exterior calculus (DEC). A distinguishing feature of our method is the use of an algebraic discretization of the interior product operator and a combinatorial discretization of the wedge product. The governing equations are first rewritten using the exterior calculus notation, replacing vector calculus differential operators by the exterior derivative, Hodge star and wedge product operators. The discretization is then carried out by substituting with the corresponding discrete operators based on the DEC framework. Numerical experiments for flows over surfaces reveal a second order accuracy for the developed scheme when using structured-triangular meshes, and first order accuracy for otherwise unstructured meshes. By construction, the method is conservative in that both mass and vorticity are conserved up to machine precision. The relative error in kinetic energy for inviscid flow test cases converges in a second order fashion with both the mesh size and the time step.

  3. Explicit solutions to the semi-discrete modified KdV equation and motion of discrete plane curves

    Inoguchi, Jun-ichi; Kajiwara, Kenji; Matsuura, Nozomu; Ohta, Yasuhiro

    2012-01-01

    We construct explicit solutions to continuous motion of discrete plane curves described by a semi-discrete potential modified KdV equation. Explicit formulas in terms of the τ function are presented. Bäcklund transformations of the discrete curves are also discussed. We finally consider the continuous limit of discrete motion of discrete plane curves described by the discrete potential modified KdV equation to motion of smooth plane curves characterized by the potential modified KdV equation. (paper)

  4. Discrete modeling considerations in multiphase fluid dynamics

    Ransom, V.H.; Ramshaw, J.D.

    1988-01-01

    The modeling of multiphase flows play a fundamental role in light water reactor safety. The main ingredients in our discrete modeling Weltanschauung are the following considerations: (1) Any physical model must be cast into discrete form for a digital computer. (2) The usual approach of formulating models in differential form and then discretizing them is potentially hazardous. It may be preferable to formulate the model in discrete terms from the outset. (3) Computer time and storage constraints limit the resolution that can be employed in practical calculations. These limits effectively define the physical phenomena, length scales, and time scales which cannot be directly represented in the calculation and therefore must be modeled. This information should be injected into the model formulation process at an early stage. (4) Practical resolution limits are generally so coarse that traditional convergence and truncation-error analyses become irrelevant. (5) A discrete model constitutes a reduced description of a physical system, from which fine-scale details are eliminated. This elimination creates a statistical closure problem. Methods from statistical physics may therefore be useful in the formulation of discrete models. In the present paper we elaborate on these themes and illustrate them with simple examples. 48 refs

  5. Theoretical Basics of Teaching Discrete Mathematics

    Y. A. Perminov

    2012-01-01

    Full Text Available  The paper deals with the research findings concerning the process of mastering the theoretical basics of discrete mathematics by the students of vocational pedagogic profile. The methodological analysis is based on the subject and functions of the modern discrete mathematics and its role in mathematical modeling and computing. The modern discrete mathematics (i.e. mathematics of the finite type structures plays the important role in modernization of vocational training. It is especially rele- vant to training students for vocational pedagogic qualifications, as in the future they will be responsible for training the middle and the senior level specialists in engineer- ing and technical spheres. Nowadays in different industries, there arise the problems which require for their solving both continual – based on the classical mathematical methods – and discrete modeling. The teaching course of discrete mathematics for the future vocational teachers should be relevant to the target qualification and aimed at mastering the mathematical modeling, systems of computer mathematics and computer technologies. The author emphasizes the fundamental role of mastering the language of algebraic and serial structures, as well as the logical, algorithmic, combinatory schemes dominating in dis- crete mathematics. The guidelines for selecting the content of the course in discrete mathematics are specified. The theoretical findings of the research can be put into practice whilst developing curricula and working programs for bachelors and masters’ training. 

  6. Current density and continuity in discretized models

    Boykin, Timothy B; Luisier, Mathieu; Klimeck, Gerhard

    2010-01-01

    Discrete approaches have long been used in numerical modelling of physical systems in both research and teaching. Discrete versions of the Schroedinger equation employing either one or several basis functions per mesh point are often used by senior undergraduates and beginning graduate students in computational physics projects. In studying discrete models, students can encounter conceptual difficulties with the representation of the current and its divergence because different finite-difference expressions, all of which reduce to the current density in the continuous limit, measure different physical quantities. Understanding these different discrete currents is essential and requires a careful analysis of the current operator, the divergence of the current and the continuity equation. Here we develop point forms of the current and its divergence valid for an arbitrary mesh and basis. We show that in discrete models currents exist only along lines joining atomic sites (or mesh points). Using these results, we derive a discrete analogue of the divergence theorem and demonstrate probability conservation in a purely localized-basis approach.

  7. Discrete Calculus as a Bridge between Scales

    Degiuli, Eric; McElwaine, Jim

    2012-02-01

    Understanding how continuum descriptions of disordered media emerge from the microscopic scale is a fundamental challenge in condensed matter physics. In many systems, it is necessary to coarse-grain balance equations at the microscopic scale to obtain macroscopic equations. We report development of an exact, discrete calculus, which allows identification of discrete microscopic equations with their continuum equivalent [1]. This allows the application of powerful techniques of calculus, such as the Helmholtz decomposition, the Divergence Theorem, and Stokes' Theorem. We illustrate our results with granular materials. In particular, we show how Newton's laws for a single grain reproduce their continuum equivalent in the calculus. This allows introduction of a discrete Airy stress function, exactly as in the continuum. As an application of the formalism, we show how these results give the natural mean-field variation of discrete quantities, in agreement with numerical simulations. The discrete calculus thus acts as a bridge between discrete microscale quantities and continuous macroscale quantities. [4pt] [1] E. DeGiuli & J. McElwaine, PRE 2011. doi: 10.1103/PhysRevE.84.041310

  8. Recent developments in discrete ordinates electron transport

    Morel, J.E.; Lorence, L.J. Jr.

    1986-01-01

    The discrete ordinates method is a deterministic method for numerically solving the Boltzmann equation. It was originally developed for neutron transport calculations, but is routinely used for photon and coupled neutron-photon transport calculations as well. The computational state of the art for coupled electron-photon transport (CEPT) calculations is not as developed as that for neutron transport calculations. The only production codes currently available for CEPT calculations are condensed-history Monte Carlo codes such as the ETRAN and ITS codes. A deterministic capability for production calculations is clearly needed. In response to this need, we have begun the development of a production discrete ordinates code for CEPT calculations. The purpose of this paper is to describe the basic approach we are taking, discuss the current status of the project, and present some new computational results. Although further characterization of the coupled electron-photon discrete ordinates method remains to be done, the results to date indicate that the discrete ordinates method can be just as accurate and from 10 to 100 times faster than the Monte Carlo method for a wide variety of problems. We stress that these results are obtained with standard discrete ordinates codes such as ONETRAN. It is clear that even greater efficiency can be obtained by developing a new generation of production discrete ordinates codes specifically designed to solve the Boltzmann-Fokker-Planck equation. However, the prospects for such development in the near future appear to be remote

  9. Discrete symmetries and their stringy origin

    Mayorga Pena, Damian Kaloni

    2014-05-01

    Discrete symmetries have proven to be very useful in controlling the phenomenology of theories beyond the standard model. In this work we explore how these symmetries emerge from string compactifications. Our approach is twofold: On the one hand, we consider the heterotic string on orbifold backgrounds. In this case the discrete symmetries can be derived from the orbifold conformal field theory, and it can be shown that they are in close relation with the orbifold geometry. We devote special attention to R-symmetries, which arise from discrete remnants of the Lorentz group in compact space. Further we discuss the physical implications of these symmetries both in the heterotic mini-landscape and in newly constructed models based on the Z 2 x Z 4 orbifold. In both cases we observe that the discrete symmetries favor particular locations in the orbifold where the particles of standard model should live. On the other hand we consider a class of F-theory models exhibiting an SU(5) gauge group, times additional U(1) symmetries. In this case, the smooth compactification background does not permit us to track the discrete symmetries as transparently as in orbifold models. Hence, we follow a different approach and search for discrete subgroups emerging after the U(1)s are broken. We observe that in this approach it is possible to obtain the standard Z 2 matter parity of the MSSM.

  10. Discrete integrable systems and deformations of associative algebras

    Konopelchenko, B G

    2009-01-01

    Interrelations between discrete deformations of the structure constants for associative algebras and discrete integrable systems are reviewed. Theory of deformations for associative algebras is presented. Closed left ideal generated by the elements representing the multiplication table plays a central role in this theory. Deformations of the structure constants are generated by the deformation driving algebra and governed by the central system of equations. It is demonstrated that many discrete equations such as discrete Boussinesq equation, discrete WDVV equation, discrete Schwarzian KP and BKP equations, discrete Hirota-Miwa equations for KP and BKP hierarchies are particular realizations of the central system. An interaction between the theories of discrete integrable systems and discrete deformations of associative algebras is reciprocal and fruitful. An interpretation of the Menelaus relation (discrete Schwarzian KP equation), discrete Hirota-Miwa equation for KP hierarchy, consistency around the cube as the associativity conditions and the concept of gauge equivalence, for instance, between the Menelaus and KP configurations are particular examples.

  11. Darboux and binary Darboux transformations for discrete integrable systems I. Discrete potential KdV equation

    Shi, Ying; Zhang, Da-jun; Nimmo, Jonathan J C

    2014-01-01

    The Hirota–Miwa equation can be written in ‘nonlinear’ form in two ways: the discrete KP equation and, by using a compatible continuous variable, the discrete potential KP equation. For both systems, we consider the Darboux and binary Darboux transformations, expressed in terms of the continuous variable, and obtain exact solutions in Wronskian and Grammian form. We discuss reductions of both systems to the discrete KdV and discrete potential KdV equation, respectively, and exploit this connection to find the Darboux and binary Darboux transformations and exact solutions of these equations. (paper)

  12. Modeling discrete and continuous entities with fractions and decimals.

    Rapp, Monica; Bassok, Miriam; DeWolf, Melissa; Holyoak, Keith J

    2015-03-01

    When people use mathematics to model real-life situations, their use of mathematical expressions is often mediated by semantic alignment (Bassok, Chase, & Martin, 1998): The entities in a problem situation evoke semantic relations (e.g., tulips and vases evoke the functionally asymmetric "contain" relation), which people align with analogous mathematical relations (e.g., the noncommutative division operation, tulips/vases). Here we investigate the possibility that semantic alignment is also involved in the comprehension and use of rational numbers (fractions and decimals). A textbook analysis and results from two experiments revealed that both mathematic educators and college students tend to align the discreteness versus continuity of the entities in word problems (e.g., marbles vs. distance) with distinct symbolic representations of rational numbers--fractions versus decimals, respectively. In addition, fractions and decimals tend to be used with nonmetric units and metric units, respectively. We discuss the importance of the ontological distinction between continuous and discrete entities to mathematical cognition, the role of symbolic notations, and possible implications of our findings for the teaching of rational numbers. PsycINFO Database Record (c) 2015 APA, all rights reserved.

  13. Long memory analysis by using maximal overlapping discrete wavelet transform

    Shafie, Nur Amalina binti; Ismail, Mohd Tahir; Isa, Zaidi

    2015-05-01

    Long memory process is the asymptotic decay of the autocorrelation or spectral density around zero. The main objective of this paper is to do a long memory analysis by using the Maximal Overlapping Discrete Wavelet Transform (MODWT) based on wavelet variance. In doing so, stock market of Malaysia, China, Singapore, Japan and United States of America are used. The risk of long term and short term investment are also being looked into. MODWT can be analyzed with time domain and frequency domain simultaneously and decomposing wavelet variance to different scales without loss any information. All countries under studied show that they have long memory. Subprime mortgage crisis in 2007 is occurred in the United States of America are possible affect to the major trading countries. Short term investment is more risky than long term investment.

  14. Cross Coursing in Mathematics: Physical Modelling in Differential Equations Crossing to Discrete Dynamical Systems

    Winkel, Brian

    2012-01-01

    We give an example of cross coursing in which a subject or approach in one course in undergraduate mathematics is used in a completely different course. This situation crosses falling body modelling in an upper level differential equations course into a modest discrete dynamical systems unit of a first-year mathematics course. (Contains 1 figure.)

  15. A discrete spherical X-ray transform of orientation distribution functions using bounding cubes

    Kazantsev, Ivan G; Schmidt, Søren; Poulsen, Henning Friis

    2009-01-01

    We investigate a cubed sphere parametrization of orientation space with the aim of constructing a discrete voxelized version of the spherical x-ray transform. For tracing the propagation of a unit great circle through the partition subsets, the frustums of the cubed sphere, a fast procedure...

  16. Discrete Green’s function diakoptics for stable FDTD interaction between multiply-connected domains

    Hon, de B.P.; Arnold, J.M.; Graglia, R.D.

    2007-01-01

    We have developed FDTD boundary conditions based on discrete Green's function diakoptics for arbitrary multiply-connected 2D domains. The associated Z-domain boundary operator is symmetric, with an imaginary part that can be proved to be positive semi-definite on the upper half of the unit circle in

  17. Convergence of posteriors for discretized log Gaussian Cox processes

    Waagepetersen, Rasmus Plenge

    2004-01-01

    In Markov chain Monte Carlo posterior computation for log Gaussian Cox processes (LGCPs) a discretization of the continuously indexed Gaussian field is required. It is demonstrated that approximate posterior expectations computed from discretized LGCPs converge to the exact posterior expectations...... when the cell sizes of the discretization tends to zero. The effect of discretization is studied in a data example....

  18. Discrete Feature Model (DFM) User Documentation

    Geier, Joel

    2008-06-01

    This manual describes the Discrete-Feature Model (DFM) software package for modelling groundwater flow and solute transport in networks of discrete features. A discrete-feature conceptual model represents fractures and other water-conducting features around a repository as discrete conductors surrounded by a rock matrix which is usually treated as impermeable. This approximation may be valid for crystalline rocks such as granite or basalt, which have very low permeability if macroscopic fractures are excluded. A discrete feature is any entity that can conduct water and permit solute transport through bedrock, and can be reasonably represented as a piecewise-planar conductor. Examples of such entities may include individual natural fractures (joints or faults), fracture zones, and disturbed-zone features around tunnels (e.g. blasting-induced fractures or stress-concentration induced 'onion skin' fractures around underground openings). In a more abstract sense, the effectively discontinuous nature of pathways through fractured crystalline bedrock may be idealized as discrete, equivalent transmissive features that reproduce large-scale observations, even if the details of connective paths (and unconnected domains) are not precisely known. A discrete-feature model explicitly represents the fundamentally discontinuous and irregularly connected nature of systems of such systems, by constraining flow and transport to occur only within such features and their intersections. Pathways for flow and solute transport in this conceptualization are a consequence not just of the boundary conditions and hydrologic properties (as with continuum models), but also the irregularity of connections between conductive/transmissive features. The DFM software package described here is an extensible code for investigating problems of flow and transport in geological (natural or human-altered) systems that can be characterized effectively in terms of discrete features. With this software, the

  19. Discrete Feature Model (DFM) User Documentation

    Geier, Joel (Clearwater Hardrock Consulting, Corvallis, OR (United States))

    2008-06-15

    This manual describes the Discrete-Feature Model (DFM) software package for modelling groundwater flow and solute transport in networks of discrete features. A discrete-feature conceptual model represents fractures and other water-conducting features around a repository as discrete conductors surrounded by a rock matrix which is usually treated as impermeable. This approximation may be valid for crystalline rocks such as granite or basalt, which have very low permeability if macroscopic fractures are excluded. A discrete feature is any entity that can conduct water and permit solute transport through bedrock, and can be reasonably represented as a piecewise-planar conductor. Examples of such entities may include individual natural fractures (joints or faults), fracture zones, and disturbed-zone features around tunnels (e.g. blasting-induced fractures or stress-concentration induced 'onion skin' fractures around underground openings). In a more abstract sense, the effectively discontinuous nature of pathways through fractured crystalline bedrock may be idealized as discrete, equivalent transmissive features that reproduce large-scale observations, even if the details of connective paths (and unconnected domains) are not precisely known. A discrete-feature model explicitly represents the fundamentally discontinuous and irregularly connected nature of systems of such systems, by constraining flow and transport to occur only within such features and their intersections. Pathways for flow and solute transport in this conceptualization are a consequence not just of the boundary conditions and hydrologic properties (as with continuum models), but also the irregularity of connections between conductive/transmissive features. The DFM software package described here is an extensible code for investigating problems of flow and transport in geological (natural or human-altered) systems that can be characterized effectively in terms of discrete features. With this

  20. Discrete stochastic analogs of Erlang epidemic models.

    Getz, Wayne M; Dougherty, Eric R

    2018-12-01

    Erlang differential equation models of epidemic processes provide more realistic disease-class transition dynamics from susceptible (S) to exposed (E) to infectious (I) and removed (R) categories than the ubiquitous SEIR model. The latter is itself is at one end of the spectrum of Erlang SE[Formula: see text]I[Formula: see text]R models with [Formula: see text] concatenated E compartments and [Formula: see text] concatenated I compartments. Discrete-time models, however, are computationally much simpler to simulate and fit to epidemic outbreak data than continuous-time differential equations, and are also much more readily extended to include demographic and other types of stochasticity. Here we formulate discrete-time deterministic analogs of the Erlang models, and their stochastic extension, based on a time-to-go distributional principle. Depending on which distributions are used (e.g. discretized Erlang, Gamma, Beta, or Uniform distributions), we demonstrate that our formulation represents both a discretization of Erlang epidemic models and generalizations thereof. We consider the challenges of fitting SE[Formula: see text]I[Formula: see text]R models and our discrete-time analog to data (the recent outbreak of Ebola in Liberia). We demonstrate that the latter performs much better than the former; although confining fits to strict SEIR formulations reduces the numerical challenges, but sacrifices best-fit likelihood scores by at least 7%.

  1. Positivity for Convective Semi-discretizations

    Fekete, Imre

    2017-04-19

    We propose a technique for investigating stability properties like positivity and forward invariance of an interval for method-of-lines discretizations, and apply the technique to study positivity preservation for a class of TVD semi-discretizations of 1D scalar hyperbolic conservation laws. This technique is a generalization of the approach suggested in Khalsaraei (J Comput Appl Math 235(1): 137–143, 2010). We give more relaxed conditions on the time-step for positivity preservation for slope-limited semi-discretizations integrated in time with explicit Runge–Kutta methods. We show that the step-size restrictions derived are sharp in a certain sense, and that many higher-order explicit Runge–Kutta methods, including the classical 4th-order method and all non-confluent methods with a negative Butcher coefficient, cannot generally maintain positivity for these semi-discretizations under any positive step size. We also apply the proposed technique to centered finite difference discretizations of scalar hyperbolic and parabolic problems.

  2. Noether symmetries of discrete mechanico–electrical systems

    Fu Jingli; Xie Fengping; Chen Benyong

    2008-01-01

    This paper focuses on studying Noether symmetries and conservation laws of the discrete mechanico-electrical systems with the nonconservative and the dissipative forces. Based on the invariance of discrete Hamilton action of the systems under the infinitesimal transformation with respect to the generalized coordinates, the generalized electrical quantities and time, it presents the discrete analogue of variational principle, the discrete analogue of Lagrange–Maxwell equations, the discrete analogue of Noether theorems for Lagrange–Maxwell and Lagrange mechanico-electrical systems. Also, the discrete Noether operator identity and the discrete Noether-type conservation laws are obtained for these systems. An actual example is given to illustrate these results. (general)

  3. Discrete breathers for a discrete nonlinear Schrödinger ring coupled to a central site.

    Jason, Peter; Johansson, Magnus

    2016-01-01

    We examine the existence and properties of certain discrete breathers for a discrete nonlinear Schrödinger model where all but one site are placed in a ring and coupled to the additional central site. The discrete breathers we focus on are stationary solutions mainly localized on one or a few of the ring sites and possibly also the central site. By numerical methods, we trace out and study the continuous families the discrete breathers belong to. Our main result is the discovery of a split bifurcation at a critical value of the coupling between neighboring ring sites. Below this critical value, families form closed loops in a certain parameter space, implying that discrete breathers with and without central-site occupation belong to the same family. Above the split bifurcation the families split up into several separate ones, which bifurcate with solutions with constant ring amplitudes. For symmetry reasons, the families have different properties below the split bifurcation for even and odd numbers of sites. It is also determined under which conditions the discrete breathers are linearly stable. The dynamics of some simpler initial conditions that approximate the discrete breathers are also studied and the parameter regimes where the dynamics remain localized close to the initially excited ring site are related to the linear stability of the exact discrete breathers.

  4. Discrete Localized States and Localization Dynamics in Discrete Nonlinear Schrödinger Equations

    Christiansen, Peter Leth; Gaididei, Yu.B.; Mezentsev, V.K.

    1996-01-01

    Dynamics of two-dimensional discrete structures is studied in the framework of the generalized two-dimensional discrete nonlinear Schrodinger equation. The nonlinear coupling in the form of the Ablowitz-Ladik nonlinearity is taken into account. Stability properties of the stationary solutions...

  5. Discrete Mathematics in the Schools. DIMACS Series in Discrete Mathematics and Theoretical Computer Science, Volume 36.

    Rosenstein, Joseph G., Ed.; Franzblau, Deborah S., Ed.; Roberts, Fred S., Ed.

    This book is a collection of articles by experienced educators and explains why and how discrete mathematics should be taught in K-12 classrooms. It includes evidence for "why" and practical guidance for "how" and also discusses how discrete mathematics can be used as a vehicle for achieving the broader goals of the major…

  6. Limit sets for the discrete spectrum of complex Jacobi matrices

    Golinskii, L B; Egorova, I E

    2005-01-01

    The discrete spectrum of complex Jacobi matrices that are compact perturbations of the discrete Laplacian is studied. The precise stabilization rate (in the sense of order) of the matrix elements ensuring the finiteness of the discrete spectrum is found. An example of a Jacobi matrix with discrete spectrum having a unique limit point is constructed. These results are discrete analogues of Pavlov's well-known results on Schroedinger operators with complex potential on a half-axis.

  7. Euler-Poincare reduction for discrete field theories

    Vankerschaver, Joris

    2007-01-01

    In this note, we develop a theory of Euler-Poincare reduction for discrete Lagrangian field theories. We introduce the concept of Euler-Poincare equations for discrete field theories, as well as a natural extension of the Moser-Veselov scheme, and show that both are equivalent. The resulting discrete field equations are interpreted in terms of discrete differential geometry. An application to the theory of discrete harmonic mappings is also briefly discussed

  8. Integrals of Motion for Discrete-Time Optimal Control Problems

    Torres, Delfim F. M.

    2003-01-01

    We obtain a discrete time analog of E. Noether's theorem in Optimal Control, asserting that integrals of motion associated to the discrete time Pontryagin Maximum Principle can be computed from the quasi-invariance properties of the discrete time Lagrangian and discrete time control system. As corollaries, results for first-order and higher-order discrete problems of the calculus of variations are obtained.

  9. Symmetric, discrete fractional splines and Gabor systems

    Søndergaard, Peter Lempel

    2006-01-01

    In this paper we consider fractional splines as windows for Gabor frames. We introduce two new types of symmetric, fractional splines in addition to one found by Unser and Blu. For the finite, discrete case we present two families of splines: One is created by sampling and periodizing the continu......In this paper we consider fractional splines as windows for Gabor frames. We introduce two new types of symmetric, fractional splines in addition to one found by Unser and Blu. For the finite, discrete case we present two families of splines: One is created by sampling and periodizing...... the continuous splines, and one is a truly finite, discrete construction. We discuss the properties of these splines and their usefulness as windows for Gabor frames and Wilson bases....

  10. Sputtering calculations with the discrete ordinated method

    Hoffman, T.J.; Dodds, H.L. Jr.; Robinson, M.T.; Holmes, D.K.

    1977-01-01

    The purpose of this work is to investigate the applicability of the discrete ordinates (S/sub N/) method to light ion sputtering problems. In particular, the neutral particle discrete ordinates computer code, ANISN, was used to calculate sputtering yields. No modifications to this code were necessary to treat charged particle transport. However, a cross section processing code was written for the generation of multigroup cross sections; these cross sections include a modification to the total macroscopic cross section to account for electronic interactions and small-scattering-angle elastic interactions. The discrete ordinates approach enables calculation of the sputtering yield as functions of incident energy and angle and of many related quantities such as ion reflection coefficients, angular and energy distributions of sputtering particles, the behavior of beams penetrating thin foils, etc. The results of several sputtering problems as calculated with ANISN are presented

  11. Modeling discrete time-to-event data

    Tutz, Gerhard

    2016-01-01

    This book focuses on statistical methods for the analysis of discrete failure times. Failure time analysis is one of the most important fields in statistical research, with applications affecting a wide range of disciplines, in particular, demography, econometrics, epidemiology and clinical research. Although there are a large variety of statistical methods for failure time analysis, many techniques are designed for failure times that are measured on a continuous scale. In empirical studies, however, failure times are often discrete, either because they have been measured in intervals (e.g., quarterly or yearly) or because they have been rounded or grouped. The book covers well-established methods like life-table analysis and discrete hazard regression models, but also introduces state-of-the art techniques for model evaluation, nonparametric estimation and variable selection. Throughout, the methods are illustrated by real life applications, and relationships to survival analysis in continuous time are expla...

  12. Direct Discrete Method for Neutronic Calculations

    Vosoughi, Naser; Akbar Salehi, Ali; Shahriari, Majid

    2002-01-01

    The objective of this paper is to introduce a new direct method for neutronic calculations. This method which is named Direct Discrete Method, is simpler than the neutron Transport equation and also more compatible with physical meaning of problems. This method is based on physic of problem and with meshing of the desired geometry, writing the balance equation for each mesh intervals and with notice to the conjunction between these mesh intervals, produce the final discrete equations series without production of neutron transport differential equation and mandatory passing from differential equation bridge. We have produced neutron discrete equations for a cylindrical shape with two boundary conditions in one group energy. The correction of the results from this method are tested with MCNP-4B code execution. (authors)

  13. An algebra of discrete event processes

    Heymann, Michael; Meyer, George

    1991-01-01

    This report deals with an algebraic framework for modeling and control of discrete event processes. The report consists of two parts. The first part is introductory, and consists of a tutorial survey of the theory of concurrency in the spirit of Hoare's CSP, and an examination of the suitability of such an algebraic framework for dealing with various aspects of discrete event control. To this end a new concurrency operator is introduced and it is shown how the resulting framework can be applied. It is further shown that a suitable theory that deals with the new concurrency operator must be developed. In the second part of the report the formal algebra of discrete event control is developed. At the present time the second part of the report is still an incomplete and occasionally tentative working paper.

  14. Is Fitts' law continuous in discrete aiming?

    Rita Sleimen-Malkoun

    Full Text Available The lawful continuous linear relation between movement time and task difficulty (i.e., index of difficulty; ID in a goal-directed rapid aiming task (Fitts' law has been recently challenged in reciprocal performance. Specifically, a discontinuity was observed at critical ID and was attributed to a transition between two distinct dynamic regimes that occurs with increasing difficulty. In the present paper, we show that such a discontinuity is also present in discrete aiming when ID is manipulated via target width (experiment 1 but not via target distance (experiment 2. Fitts' law's discontinuity appears, therefore, to be a suitable indicator of the underlying functional adaptations of the neuro-muscular-skeletal system to task properties/requirements, independently of reciprocal or discrete nature of the task. These findings open new perspectives to the study of dynamic regimes involved in discrete aiming and sensori-motor mechanisms underlying the speed-accuracy trade-off.

  15. Acceleration techniques for the discrete ordinate method

    Efremenko, Dmitry; Doicu, Adrian; Loyola, Diego; Trautmann, Thomas

    2013-01-01

    In this paper we analyze several acceleration techniques for the discrete ordinate method with matrix exponential and the small-angle modification of the radiative transfer equation. These techniques include the left eigenvectors matrix approach for computing the inverse of the right eigenvectors matrix, the telescoping technique, and the method of false discrete ordinate. The numerical simulations have shown that on average, the relative speedup of the left eigenvector matrix approach and the telescoping technique are of about 15% and 30%, respectively. -- Highlights: ► We presented the left eigenvector matrix approach. ► We analyzed the method of false discrete ordinate. ► The telescoping technique is applied for matrix operator method. ► Considered techniques accelerate the computations by 20% in average.

  16. Discrete quantum geometries and their effective dimension

    Thuerigen, Johannes

    2015-01-01

    In several approaches towards a quantum theory of gravity, such as group field theory and loop quantum gravity, quantum states and histories of the geometric degrees of freedom turn out to be based on discrete spacetime. The most pressing issue is then how the smooth geometries of general relativity, expressed in terms of suitable geometric observables, arise from such discrete quantum geometries in some semiclassical and continuum limit. In this thesis I tackle the question of suitable observables focusing on the effective dimension of discrete quantum geometries. For this purpose I give a purely combinatorial description of the discrete structures which these geometries have support on. As a side topic, this allows to present an extension of group field theory to cover the combinatorially larger kinematical state space of loop quantum gravity. Moreover, I introduce a discrete calculus for fields on such fundamentally discrete geometries with a particular focus on the Laplacian. This permits to define the effective-dimension observables for quantum geometries. Analysing various classes of quantum geometries, I find as a general result that the spectral dimension is more sensitive to the underlying combinatorial structure than to the details of the additional geometric data thereon. Semiclassical states in loop quantum gravity approximate the classical geometries they are peaking on rather well and there are no indications for stronger quantum effects. On the other hand, in the context of a more general model of states which are superposition over a large number of complexes, based on analytic solutions, there is a flow of the spectral dimension from the topological dimension d on low energy scales to a real number between 0 and d on high energy scales. In the particular case of 1 these results allow to understand the quantum geometry as effectively fractal.

  17. Synchronization Of Parallel Discrete Event Simulations

    Steinman, Jeffrey S.

    1992-01-01

    Adaptive, parallel, discrete-event-simulation-synchronization algorithm, Breathing Time Buckets, developed in Synchronous Parallel Environment for Emulation and Discrete Event Simulation (SPEEDES) operating system. Algorithm allows parallel simulations to process events optimistically in fluctuating time cycles that naturally adapt while simulation in progress. Combines best of optimistic and conservative synchronization strategies while avoiding major disadvantages. Algorithm processes events optimistically in time cycles adapting while simulation in progress. Well suited for modeling communication networks, for large-scale war games, for simulated flights of aircraft, for simulations of computer equipment, for mathematical modeling, for interactive engineering simulations, and for depictions of flows of information.

  18. Speeding Up Network Simulations Using Discrete Time

    Lucas, Aaron; Armbruster, Benjamin

    2013-01-01

    We develop a way of simulating disease spread in networks faster at the cost of some accuracy. Instead of a discrete event simulation (DES) we use a discrete time simulation. This aggregates events into time periods. We prove a bound on the accuracy attained. We also discuss the choice of step size and do an analytical comparison of the computational costs. Our error bound concept comes from the theory of numerical methods for SDEs and the basic proof structure comes from the theory of numeri...

  19. PHASE CHAOS IN THE DISCRETE KURAMOTO MODEL

    Maistrenko, V.; Vasylenko, A.; Maistrenko, Y.

    2010-01-01

    The paper describes the appearance of a novel, high-dimensional chaotic regime, called phase chaos, in a time-discrete Kuramoto model of globally coupled phase oscillators. This type of chaos is observed at small and intermediate values of the coupling strength. It arises from the nonlinear...... interaction among the oscillators, while the individual oscillators behave periodically when left uncoupled. For the four-dimensional time-discrete Kuramoto model, we outline the region of phase chaos in the parameter plane and determine the regions where phase chaos coexists with different periodic...

  20. Digital and discrete geometry theory and algorithms

    Chen, Li

    2014-01-01

    This book provides comprehensive coverage of the modern methods for geometric problems in the computing sciences. It also covers concurrent topics in data sciences including geometric processing, manifold learning, Google search, cloud data, and R-tree for wireless networks and BigData.The author investigates digital geometry and its related constructive methods in discrete geometry, offering detailed methods and algorithms. The book is divided into five sections: basic geometry; digital curves, surfaces and manifolds; discretely represented objects; geometric computation and processing; and a

  1. A Low Complexity Discrete Radiosity Method

    Chatelier , Pierre Yves; Malgouyres , Rémy

    2006-01-01

    International audience; Rather than using Monte Carlo sampling techniques or patch projections to compute radiosity, it is possible to use a discretization of a scene into voxels and perform some discrete geometry calculus to quickly compute visibility information. In such a framework , the radiosity method may be as precise as a patch-based radiosity using hemicube computation for form-factors, but it lowers the overall theoretical complexity to an O(N log N) + O(N), where the O(N) is largel...

  2. Modeling and simulation of discrete event systems

    Choi, Byoung Kyu

    2013-01-01

    Computer modeling and simulation (M&S) allows engineers to study and analyze complex systems. Discrete-event system (DES)-M&S is used in modern management, industrial engineering, computer science, and the military. As computer speeds and memory capacity increase, so DES-M&S tools become more powerful and more widely used in solving real-life problems. Based on over 20 years of evolution within a classroom environment, as well as on decades-long experience in developing simulation-based solutions for high-tech industries, Modeling and Simulation of Discrete-Event Systems is the only book on

  3. Logic and discrete mathematics a concise introduction

    Conradie, Willem

    2015-01-01

    A concise yet rigorous introduction to logic and discrete mathematics. This book features a unique combination of comprehensive coverage of logic with a solid exposition of the most important fields of discrete mathematics, presenting material that has been tested and refined by the authors in university courses taught over more than a decade.  The chapters on logic - propositional and first-order - provide a robust toolkit for logical reasoning, emphasizing the conceptual understanding of the language and the semantics of classical logic as well as practical applications through the easy

  4. Semiclassical expanding discrete space-times

    Cobb, W.K.; Smalley, L.L.

    1981-01-01

    Given the close ties between general relativity and geometry one might reasonably expect that quantum effects associated with gravitation might also be tied to the geometry of space-time, namely, to some sort of discreteness in space-time itself. In particular it is supposed that space-time consists of a discrete lattice of points rather than the usual continuum. Since astronomical evidence seems to suggest that the universe is expanding, the lattice must also expand. Some of the implications of such a model are that the proton should presently be stable, and the universe should be closed although the mechanism for closure is quantum mechanical. (author)

  5. Systematization of Accurate Discrete Optimization Methods

    V. A. Ovchinnikov

    2015-01-01

    Full Text Available The object of study of this paper is to define accurate methods for solving combinatorial optimization problems of structural synthesis. The aim of the work is to systemize the exact methods of discrete optimization and define their applicability to solve practical problems.The article presents the analysis, generalization and systematization of classical methods and algorithms described in the educational and scientific literature.As a result of research a systematic presentation of combinatorial methods for discrete optimization described in various sources is given, their capabilities are described and properties of the tasks to be solved using the appropriate methods are specified.

  6. Multiband discrete ordinates method: formalism and results

    Luneville, L.

    1998-06-01

    The multigroup discrete ordinates method is a classical way to solve transport equation (Boltzmann) for neutral particles. Self-shielding effects are not correctly treated due to large variations of cross sections in a group (in the resonance range). To treat the resonance domain, the multiband method is introduced. The main idea is to divide the cross section domain into bands. We obtain the multiband parameters using the moment method; the code CALENDF provides probability tables for these parameters. We present our implementation in an existing discrete ordinates code: SN1D. We study deep penetration benchmarks and show the improvement of the method in the treatment of self-shielding effects. (author)

  7. Discrete energy formulation of neutron transport theory applied to solving the discrete ordinates equations

    Ching, J.; Oblow, E.M.; Goldstein, H.

    1976-01-01

    An algebraic equivalence between the point-energy and multigroup forms of the Boltzmann transport equation is demonstrated that allows the development of a discrete energy, discrete ordinates method for the solution of radiation transport problems. In the discrete energy method, the group averaging required in the cross-section processing for multigroup calculations is replaced by a faster numerical quadrature scheme capable of generating transfer cross sections describing all the physical processes of interest on a fine point-energy grid. Test calculations in which the discrete energy method is compared with the multigroup method show that, for the same energy grid, the discrete energy method is much faster, although somewhat less accurate, than the multigroup method. However, the accuracy of the discrete energy method increases rapidly as the spacing between energy grid points is decreased, approaching that of multigroup calculations. For problems requiring great detail in the energy spectrum, the discrete energy method is therefore expected to be far more economical than the multigroup technique for equivalent accuracy solutions. This advantage of the point method is demonstrated by application to the study of neutron transport in a thick iron slab

  8. Discrete integrable systems and hodograph transformations arising from motions of discrete plane curves

    Feng Baofeng; Maruno, Ken-ichi; Inoguchi, Jun-ichi; Kajiwara, Kenji; Ohta, Yasuhiro

    2011-01-01

    We consider integrable discretizations of some soliton equations associated with the motions of plane curves: the Wadati-Konno-Ichikawa elastic beam equation, the complex Dym equation and the short pulse equation. They are related to the modified KdV or the sine-Gordon equations by the hodograph transformations. Based on the observation that the hodograph transformations are regarded as the Euler-Lagrange transformations of the curve motions, we construct the discrete analogues of the hodograph transformations, which yield integrable discretizations of those soliton equations. (paper)

  9. An innovative discrete multilevel sampler design

    Marvin, B.K.; De Clercq, P.J.; Taylor, B.B.; Mauro, D.M.

    1995-01-01

    An innovative, small-diameter PVC discrete multilevel sampler (DMLS) was designed for the Electric Power Research Institute (EPRI) to provide low-cost, discrete groundwater samples from shallow aquifers. When combined with appropriately-sized direct push soil sampling technologies, high resolution aquifer characterization can be achieved during initial site assessment or remediation monitoring activities. The sampler is constructed from 1-inch diameter PVC well materials, containing polyethylene tubing threaded through PVC disks. Self-expanding annular and internal bentonite seals were developed which isolate discrete sampling zones. The DMLS design allows customization of sampling and isolation zone lengths to suit site-specific goals. Installation of the DMLS is achieved using a temporary, expendable-tipped casting driven by direct push methods. This technique minimizes mobilization costs, site and soil column disturbances, and allows rapid installation in areas of limited overhead clearance. Successful pilot installations of the DMLS prototype have been made at a former manufactured gas plant (MGP) site and a diesel fuel spill site. Analysis of groundwater samples from these sites, using relative compound distributions and contaminant concentration profiling, confirmed that representative discrete samples were collected. This design provides both economical and versatile groundwater monitoring during all phases of site assessment and remediation

  10. Integrated two-section discrete mode laser

    Anandarajah, P.M.; Latkowski, S.; Browning, C.; Zhou, R.; O'Carroll, J.; Phelan, R.; Kelly, B.; O'Gorman, J.; Barry, L.P.

    2012-01-01

    The authors present the design and characterization of a novel integrated two-section discrete mode index patterned diode laser source. The two slotted regions etched into the laser ridge waveguide are formed in the same fabrication step as the ridge, thus avoiding the requirement for complex

  11. About Multi-Heston SDE Discretization

    Tiberiu Socaciu

    2013-07-01

    Full Text Available Abstract: in this paper we show how can estimate a financial derivative based on a support if assume for the support a Multi-Heston model.Keywords: Euler Maruyama discretization method, Monte Carlo simulation, Heston model, Double-Heston model, Multi-Heston model.

  12. Transversals in non-discrete groups

    Transversals in non-discrete groups. RAMJI LAL and R P SHUKLA. Department of Mathematics, University of Allahabad, Allahabad 211 002, India. E-mail: ramjilal@mri.ernet.in; rps@mri.ernet.in. MS received 2 August 2004; revised 4 August 2005. Abstract. The concept of 'topological right transversal' is introduced to study ...

  13. Attractors for discrete periodic dynamical systems

    John E. Franke; James F. Selgrade

    2003-01-01

    A mathematical framework is introduced to study attractors of discrete, nonautonomous dynamical systems which depend periodically on time. A structure theorem for such attractors is established which says that the attractor of a time-periodic dynamical system is the unin of attractors of appropriate autonomous maps. If the nonautonomous system is a perturbation of an...

  14. Model-Checking Discrete Duration Calculus

    Hansen, Michael Reichhardt

    1994-01-01

    can do model-checking. The subset we consider is expressive enough to formalize the requirements to the gas burner system given by A.P. Ravn (1993); but only for a discrete time domain. Model-checking is done by reducing the correctness problem ℳ|=𝒟 to the inclusion problem of regular...

  15. Discrete dispersion models and their Tweedie asymptotics

    Jørgensen, Bent; Kokonendji, Célestin C.

    2016-01-01

    The paper introduce a class of two-parameter discrete dispersion models, obtained by combining convolution with a factorial tilting operation, similar to exponential dispersion models which combine convolution and exponential tilting. The equidispersed Poisson model has a special place in this ap......The paper introduce a class of two-parameter discrete dispersion models, obtained by combining convolution with a factorial tilting operation, similar to exponential dispersion models which combine convolution and exponential tilting. The equidispersed Poisson model has a special place...... in this approach, whereas several overdispersed discrete distributions, such as the Neyman Type A, Pólya-Aeppli, negative binomial and Poisson-inverse Gaussian, turn out to be Poisson-Tweedie factorial dispersion models with power dispersion functions, analogous to ordinary Tweedie exponential dispersion models...... with power variance functions. Using the factorial cumulant generating function as tool, we introduce a dilation operation as a discrete analogue of scaling, generalizing binomial thinning. The Poisson-Tweedie factorial dispersion models are closed under dilation, which in turn leads to a Poisson...

  16. Multivariate Discrete First Order Stochastic Dominance

    Tarp, Finn; Østerdal, Lars Peter

    This paper characterizes the principle of first order stochastic dominance in a multivariate discrete setting. We show that a distribution  f first order stochastic dominates distribution g if and only if  f can be obtained from g by iteratively shifting density from one outcome to another...

  17. Discrete element modeling of subglacial sediment deformation

    Damsgaard, Anders; Egholm, David L.; Piotrowski, Jan A.

    2013-01-01

    The Discrete Element Method (DEM) is used in this study to explore the highly nonlinear dynamics of a granular bed when exposed to stress conditions comparable to those at the bed of warm-based glaciers. Complementary to analog experiments, the numerical approach allows a detailed analysis...

  18. Discrete variable representation for singular Hamiltonians

    Schneider, B. I.; Nygaard, Nicolai

    2004-01-01

    We discuss the application of the discrete variable representation (DVR) to Schrodinger problems which involve singular Hamiltonians. Unlike recent authors who invoke transformations to rid the eigenvalue equation of singularities at the cost of added complexity, we show that an approach based...

  19. Discrete choice models with multiplicative error terms

    Fosgerau, Mogens; Bierlaire, Michel

    2009-01-01

    The conditional indirect utility of many random utility maximization (RUM) discrete choice models is specified as a sum of an index V depending on observables and an independent random term ε. In general, the universe of RUM consistent models is much larger, even fixing some specification of V due...

  20. Choice certainty in Discrete Choice Experiments

    Uggeldahl, Kennet Christian; Jacobsen, Catrine; Lundhede, Thomas

    2016-01-01

    In this study, we conduct a Discrete Choice Experiment (DCE) using eye tracking technology to investigate if eye movements during the completion of choice sets reveal information about respondents’ choice certainty. We hypothesise that the number of times that respondents shift their visual...

  1. Ordinal Welfare Comparisons with Multiple Discrete Indicators

    Arndt, Channing; Distante, Roberta; Hussain, M. Azhar

    We develop an ordinal method for making welfare comparisons between populations with multidimensional discrete well-being indicators observed at the micro level. The approach assumes that, for each well-being indicator, the levels can be ranked from worse to better; however, no assumptions are made...

  2. Discrete element modeling of subglacial sediment deformation

    Damsgaard, Anders; Egholm, David L.; Piotrowski, Jan A.

    The Discrete Element Method (DEM) is used to explore the highly nonlinear dynamics of a granular bed when exposed to stress conditions comparable to those at the bed of warm-based glaciers. In the DEM, the material is simulated on a grain-by-grain basis, and defining the micromechanical properties...

  3. Discrete breathers in Bose–Einstein condensates

    Franzosi, Roberto; Politi, Antonio; Livi, Roberto; Oppo, Gian-Luca

    2011-01-01

    Discrete breathers, originally introduced in the context of biopolymers and coupled nonlinear oscillators, are also localized modes of excitation of Bose–Einstein condensates (BEC) in periodic potentials such as those generated by counter-propagating laser beams in an optical lattice. Static and dynamical properties of breather states are analysed in the discrete nonlinear Schrödinger equation that is derived in the limit of deep potential wells, tight-binding and the superfluid regime of the condensate. Static and mobile breathers can be formed by progressive re-shaping of initial Gaussian wave-packets or by transporting atomic density towards dissipative boundaries of the lattice. Static breathers generated via boundary dissipations are determined via a transfer-matrix approach and discussed in the two analytic limits of highly localized and very broad profiles. Mobile breathers that move across the lattice are well approximated by modified analytical expressions derived from integrable models with two independent parameters: the core-phase gradient and the peak amplitude. Finally, possible experimental realizations of discrete breathers in BEC in optical lattices are discussed in the presence of residual harmonic trapping and in interferometry configurations suitable to investigate discrete breathers' interactions. (invited article)

  4. Discrete Event Simulation of Distributed Team Communication

    2012-03-22

    performs, and auditory information that is provided through multiple audio devices with speech response. This paper extends previous discrete event workload...2008, pg. 1) notes that “Architecture modeling furnishes abstrac- tions for use in managing complexities, allowing engineers to visualise the proposed

  5. Discrete expansions of continuum wave functions

    Bang, J.; Ershov, S.N.; Gareev, F.A.; Kazacha, G.S.

    1980-01-01

    Different methods of expanding continuum wave functions in terms of discrete basis sets are discussed. The convergence properties of these expansions are investigated, both from a mathematical and a numerical point of view, for the case of potentials of Woods-Saxon and square well type. (orig.)

  6. Failure diagnosis using discrete event models

    Sampath, M.; Sengupta, R.; Lafortune, S.; Teneketzis, D.; Sinnamohideen, K.

    1994-01-01

    We propose a Discrete Event Systems (DES) approach to the failure diagnosis problem. We present a methodology for modeling physical systems in a DES framework. We discuss the notion of diagnosability and present the construction procedure of the diagnoser. Finally, we illustrate our approach using a Heating, Ventilation and Air Conditioning (HVAC) system

  7. A Discrete Dynamical Model of Signed Partitions

    G. Chiaselotti

    2013-01-01

    Full Text Available We use a discrete dynamical model with three evolution rules in order to analyze the structure of a partially ordered set of signed integer partitions whose main properties are actually not known. This model is related to the study of some extremal combinatorial sum problems.

  8. A Note on Discrete Mathematics and Calculus.

    O'Reilly, Thomas J.

    1987-01-01

    Much of the current literature on the topic of discrete mathematics and calculus during the first two years of an undergraduate mathematics curriculum is cited. A relationship between the recursive integration formulas and recursively defined polynomials is described. A Pascal program is included. (Author/RH)

  9. Analysis hierarchical model for discrete event systems

    Ciortea, E. M.

    2015-11-01

    The This paper presents the hierarchical model based on discrete event network for robotic systems. Based on the hierarchical approach, Petri network is analysed as a network of the highest conceptual level and the lowest level of local control. For modelling and control of complex robotic systems using extended Petri nets. Such a system is structured, controlled and analysed in this paper by using Visual Object Net ++ package that is relatively simple and easy to use, and the results are shown as representations easy to interpret. The hierarchical structure of the robotic system is implemented on computers analysed using specialized programs. Implementation of hierarchical model discrete event systems, as a real-time operating system on a computer network connected via a serial bus is possible, where each computer is dedicated to local and Petri model of a subsystem global robotic system. Since Petri models are simplified to apply general computers, analysis, modelling, complex manufacturing systems control can be achieved using Petri nets. Discrete event systems is a pragmatic tool for modelling industrial systems. For system modelling using Petri nets because we have our system where discrete event. To highlight the auxiliary time Petri model using transport stream divided into hierarchical levels and sections are analysed successively. Proposed robotic system simulation using timed Petri, offers the opportunity to view the robotic time. Application of goods or robotic and transmission times obtained by measuring spot is obtained graphics showing the average time for transport activity, using the parameters sets of finished products. individually.

  10. Fair value accounting and managerial discretion

    Byrne, A.; Clacher, I.; Hillier, D.; Hodgson, A.

    2008-01-01

    We analyse the extent to which managers exercise discretion under fair value accounting and the value relevance of these disclosures. Utilising a sample of firms that apply the UK fair value pension accounting standard, (FRS-17), we examine the main determinants of the assumptions managers use to

  11. Electroless plating apparatus for discrete microsized particles

    Mayer, A.

    1978-01-01

    Method and apparatus are disclosed for producing very uniform coatings of a desired material on discrete microsized particles by electroless techniques. Agglomeration or bridging of the particles during the deposition process is prevented by imparting a sufficiently random motion to the particles that they are not in contact with each other for a time sufficient for such to occur

  12. Discrete structures in F-theory compactifications

    Till, Oskar

    2016-05-04

    In this thesis we study global properties of F-theory compactifications on elliptically and genus-one fibered Calabi-Yau varieties. This is motivated by phenomenological considerations as well as by the need for a deeper understanding of the set of consistent F-theory vacua. The global geometric features arise from discrete and arithmetic structures in the torus fiber and can be studied in detail for fibrations over generic bases. In the case of elliptic fibrations we study the role of the torsion subgroup of the Mordell-Weil group of sections in four dimensional compactifications. We show how the existence of a torsional section restricts the admissible matter representations in the theory. This is shown to be equivalent to inducing a non-trivial fundamental group of the gauge group. Compactifying F-theory on genus-one fibrations with multisections gives rise to discrete selection rules. In field theory the discrete symmetry is a broken U(1) symmetry. In the geometry the higgsing corresponds to a conifold transition. We explain in detail the origin of the discrete symmetry from two different M-theory phases and put the result into the context of torsion homology. Finally we systematically construct consistent gauge fluxes on genus-one fibrations and show that these induce an anomaly free chiral spectrum.

  13. Geometric phases in discrete dynamical systems

    Cartwright, Julyan H.E., E-mail: julyan.cartwright@csic.es [Instituto Andaluz de Ciencias de la Tierra, CSIC–Universidad de Granada, E-18100 Armilla, Granada (Spain); Instituto Carlos I de Física Teórica y Computacional, Universidad de Granada, E-18071 Granada (Spain); Piro, Nicolas, E-mail: nicolas.piro@epfl.ch [École Polytechnique Fédérale de Lausanne (EPFL), 1015 Lausanne (Switzerland); Piro, Oreste, E-mail: piro@imedea.uib-csic.es [Departamento de Física, Universitat de les Illes Balears, E-07122 Palma de Mallorca (Spain); Tuval, Idan, E-mail: ituval@imedea.uib-csic.es [Mediterranean Institute for Advanced Studies, CSIC–Universitat de les Illes Balears, E-07190 Mallorca (Spain)

    2016-10-14

    In order to study the behaviour of discrete dynamical systems under adiabatic cyclic variations of their parameters, we consider discrete versions of adiabatically-rotated rotators. Parallelling the studies in continuous systems, we generalize the concept of geometric phase to discrete dynamics and investigate its presence in these rotators. For the rotated sine circle map, we demonstrate an analytical relationship between the geometric phase and the rotation number of the system. For the discrete version of the rotated rotator considered by Berry, the rotated standard map, we further explore this connection as well as the role of the geometric phase at the onset of chaos. Further into the chaotic regime, we show that the geometric phase is also related to the diffusive behaviour of the dynamical variables and the Lyapunov exponent. - Highlights: • We extend the concept of geometric phase to maps. • For the rotated sine circle map, we demonstrate an analytical relationship between the geometric phase and the rotation number. • For the rotated standard map, we explore the role of the geometric phase at the onset of chaos. • We show that the geometric phase is related to the diffusive behaviour of the dynamical variables and the Lyapunov exponent.

  14. Geometric Representations for Discrete Fourier Transforms

    Cambell, C. W.

    1986-01-01

    Simple geometric representations show symmetry and periodicity of discrete Fourier transforms (DFT's). Help in visualizing requirements for storing and manipulating transform value in computations. Representations useful in any number of dimensions, but particularly in one-, two-, and three-dimensional cases often encountered in practice.

  15. Discrete-time rewards model-checked

    Larsen, K.G.; Andova, S.; Niebert, Peter; Hermanns, H.; Katoen, Joost P.

    2003-01-01

    This paper presents a model-checking approach for analyzing discrete-time Markov reward models. For this purpose, the temporal logic probabilistic CTL is extended with reward constraints. This allows to formulate complex measures – involving expected as well as accumulated rewards – in a precise and

  16. Discrete Mathematics Course Supported by CAS MATHEMATICA

    Ivanov, O. A.; Ivanova, V. V.; Saltan, A. A.

    2017-01-01

    In this paper, we discuss examples of assignments for a course in discrete mathematics for undergraduate students majoring in business informatics. We consider several problems with computer-based solutions and discuss general strategies for using computers in teaching mathematics and its applications. In order to evaluate the effectiveness of our…

  17. Electrolytic plating apparatus for discrete microsized particles

    Mayer, A.

    1976-01-01

    Method and apparatus are disclosed for electrolytically producing very uniform coatings of a desired material on discrete microsized particles. Agglomeration or bridging of the particles during the deposition process is prevented by imparting a sufficiently random motion to the particles that they are not in contact with a powered cathode for a time sufficient for such to occur. 4 claims, 2 figures

  18. Neutrino mass and mixing with discrete symmetry

    King, Stephen F; Luhn, Christoph

    2013-01-01

    This is a review paper about neutrino mass and mixing and flavour model building strategies based on discrete family symmetry. After a pedagogical introduction and overview of the whole of neutrino physics, we focus on the PMNS mixing matrix and the latest global fits following the Daya Bay and RENO experiments which measure the reactor angle. We then describe the simple bimaximal, tri-bimaximal and golden ratio patterns of lepton mixing and the deviations required for a non-zero reactor angle, with solar or atmospheric mixing sum rules resulting from charged lepton corrections or residual trimaximal mixing. The different types of see-saw mechanism are then reviewed as well as the sequential dominance mechanism. We then give a mini-review of finite group theory, which may be used as a discrete family symmetry broken by flavons either completely, or with different subgroups preserved in the neutrino and charged lepton sectors. These two approaches are then reviewed in detail in separate chapters including mechanisms for flavon vacuum alignment and different model building strategies that have been proposed to generate the reactor angle. We then briefly review grand unified theories (GUTs) and how they may be combined with discrete family symmetry to describe all quark and lepton masses and mixing. Finally, we discuss three model examples which combine an SU(5) GUT with the discrete family symmetries A 4 , S 4 and Δ(96). (review article)

  19. Reproductive Health Services Discrete-Event Simulation

    Lee, Sungjoo; Giles, Denise F.; Goldsman, David; Cook, Douglas A.; Mishra, Ninad; McCarthy, Brian

    2006-01-01

    Low resource healthcare environments are often characteristic of patient flow patterns with varying patient risks, extensive patient waiting times, uneven workload distributions, and inefficient service delivery. Models from industrial and systems engineering allow for a greater examination of processes by applying discrete-event computer simulation techniques to evaluate and optimize hospital performance.

  20. Hybrid discrete-time neural networks.

    Cao, Hongjun; Ibarz, Borja

    2010-11-13

    Hybrid dynamical systems combine evolution equations with state transitions. When the evolution equations are discrete-time (also called map-based), the result is a hybrid discrete-time system. A class of biological neural network models that has recently received some attention falls within this category: map-based neuron models connected by means of fast threshold modulation (FTM). FTM is a connection scheme that aims to mimic the switching dynamics of a neuron subject to synaptic inputs. The dynamic equations of the neuron adopt different forms according to the state (either firing or not firing) and type (excitatory or inhibitory) of their presynaptic neighbours. Therefore, the mathematical model of one such network is a combination of discrete-time evolution equations with transitions between states, constituting a hybrid discrete-time (map-based) neural network. In this paper, we review previous work within the context of these models, exemplifying useful techniques to analyse them. Typical map-based neuron models are low-dimensional and amenable to phase-plane analysis. In bursting models, fast-slow decomposition can be used to reduce dimensionality further, so that the dynamics of a pair of connected neurons can be easily understood. We also discuss a model that includes electrical synapses in addition to chemical synapses with FTM. Furthermore, we describe how master stability functions can predict the stability of synchronized states in these networks. The main results are extended to larger map-based neural networks.

  1. Web-Based Implementation of Discrete Mathematics

    Love, Tanzy; Keinert, Fritz; Shelley, Mack

    2006-01-01

    The Department of Mathematics at Iowa State University teaches a freshman-level Discrete Mathematics course with total enrollment of about 1,800 students per year. The traditional format includes large lectures, with about 150 students each, taught by faculty and temporary instructors in two class sessions per week and recitation sections, with…

  2. Discrete Mathematics and the Secondary Mathematics Curriculum.

    Dossey, John

    Discrete mathematics, the mathematics of decision making for finite settings, is a topic of great interest in mathematics education at all levels. Attention is being focused on resolving the diversity of opinion concerning the exact nature of the subject, what content the curriculum should contain, who should study that material, and how that…

  3. Applied Behavior Analysis: Beyond Discrete Trial Teaching

    Steege, Mark W.; Mace, F. Charles; Perry, Lora; Longenecker, Harold

    2007-01-01

    We discuss the problem of autism-specific special education programs representing themselves as Applied Behavior Analysis (ABA) programs when the only ABA intervention employed is Discrete Trial Teaching (DTT), and often for limited portions of the school day. Although DTT has many advantages to recommend its use, it is not well suited to teach…

  4. Discrete dislocation modelling of submicron indentation

    Widjaja, A; Van der Giessen, E; Needleman, A

    2005-01-01

    Indentation of a planar single crystal by a circular rigid indenter is analyzed using discrete dislocation plasticity. The crystal has three slip systems and is initially dislocation-free, but edge dislocations can nucleate from point sources inside the crystal. The lattice resistance to dislocation

  5. Discrete space charge affected field emission: Flat and hemisphere emitters

    Jensen, Kevin L., E-mail: kevin.jensen@nrl.navy.mil [Code 6854, Naval Research Laboratory, Washington, DC 20375 (United States); Shiffler, Donald A.; Tang, Wilkin [Air Force Research Laboratory, Kirtland AFB, New Mexico 87117 (United States); Rittersdorf, Ian M. [Code 6770, Naval Research Laboratory, Washington, DC 20375 (United States); Lebowitz, Joel L. [Department of Mathematics and Department of Physics, Rutgers University, Piscataway, New Jersey 08854-8019 (United States); Harris, John R. [U.S. Navy Reserve, New Orleans, Louisiana 70143 (United States); Lau, Y. Y. [Department of Nuclear Engineering and Radiological Sciences, University of Michigan, Ann Arbor, Michigan 48109 (United States); Petillo, John J. [Leidos, Billerica, Massachusetts 01821 (United States); Luginsland, John W. [Physics and Electronics Directorate, AFOSR, Arlington, Virginia 22203 (United States)

    2015-05-21

    Models of space-charge affected thermal-field emission from protrusions, able to incorporate the effects of both surface roughness and elongated field emitter structures in beam optics codes, are desirable but difficult. The models proposed here treat the meso-scale diode region separate from the micro-scale regions characteristic of the emission sites. The consequences of discrete emission events are given for both one-dimensional (sheets of charge) and three dimensional (rings of charge) models: in the former, results converge to steady state conditions found by theory (e.g., Rokhlenko et al. [J. Appl. Phys. 107, 014904 (2010)]) but show oscillatory structure as they do. Surface roughness or geometric features are handled using a ring of charge model, from which the image charges are found and used to modify the apex field and emitted current. The roughness model is shown to have additional constraints related to the discrete nature of electron charge. The ability of a unit cell model to treat field emitter structures and incorporate surface roughness effects inside a beam optics code is assessed.

  6. 'May issue' gun carrying laws and police discretion: Some evidence from Massachusetts.

    Hemenway, David; Hicks, James G

    2015-08-01

    In almost all states in the United States, to carry a concealed handgun legally requires a permit from the police. Many states have changed from may-issue laws (where the local police chief has discretion about to whom to issue a license) to shall-issue laws (where the police chief must issue a permit if the applicant passes a computerized federal background check). Studies conflict on the effect on crime. None considered the situation in may-issue states when police used discretion and refused to issue a permit. We provide suggestive evidence from a December 2013 survey of police chiefs in Massachusetts' 351 cities and towns. Of the 121 responding police chiefs, a large majority favored retaining police discretion. Chiefs issued few discretionary denials - median 2 per year, citing providing false information, a history of assault (often domestic violence), a history of drug or alcohol abuse, or of mental-health issues as the most common reasons for denial.

  7. Infant differential behavioral responding to discrete emotions.

    Walle, Eric A; Reschke, Peter J; Camras, Linda A; Campos, Joseph J

    2017-10-01

    Emotional communication regulates the behaviors of social partners. Research on individuals' responding to others' emotions typically compares responses to a single negative emotion compared with responses to a neutral or positive emotion. Furthermore, coding of such responses routinely measure surface level features of the behavior (e.g., approach vs. avoidance) rather than its underlying function (e.g., the goal of the approach or avoidant behavior). This investigation examined infants' responding to others' emotional displays across 5 discrete emotions: joy, sadness, fear, anger, and disgust. Specifically, 16-, 19-, and 24-month-old infants observed an adult communicate a discrete emotion toward a stimulus during a naturalistic interaction. Infants' responses were coded to capture the function of their behaviors (e.g., exploration, prosocial behavior, and security seeking). The results revealed a number of instances indicating that infants use different functional behaviors in response to discrete emotions. Differences in behaviors across emotions were clearest in the 24-month-old infants, though younger infants also demonstrated some differential use of behaviors in response to discrete emotions. This is the first comprehensive study to identify differences in how infants respond with goal-directed behaviors to discrete emotions. Additionally, the inclusion of a function-based coding scheme and interpersonal paradigms may be informative for future emotion research with children and adults. Possible developmental accounts for the observed behaviors and the benefits of coding techniques emphasizing the function of social behavior over their form are discussed. (PsycINFO Database Record (c) 2017 APA, all rights reserved).

  8. Discretization of four types of Weyl group orbit functions

    Hrivnák, Jiří

    2013-01-01

    The discrete Fourier calculus of the four families of special functions, called C–, S–, S s – and S l -functions, is summarized. Functions from each of the four families of special functions are discretely orthogonal over a certain finite set of points. The generalizations of discrete cosine and sine transforms of one variable — the discrete S s – and S l -transforms of the group F 4 — are considered in detail required for their exploitation in discrete Fourier spectral methods. The continuous interpolations, induced by the discrete expansions, are presented

  9. A 2+1 non-isospectral discrete integrable system and its discrete integrable coupling system

    Yu Fajun; Zhang Hongqing

    2006-01-01

    In this Letter by considering a (2+1)-dimensional discrete non-isospectral linear problem, a new (2+1)-dimensional integrable lattice hierarchy is constructed. It shows that generalization of the Blaszak-Marciniak lattice hierarchy can be obtained as a reduction. Then an extended algebraic system X-bar of X is presented, from which the integrable coupling system of the (2+1)-dimensional discrete non-isospectral Blaszak-Marciniak lattice equations are obtained

  10. Application of an efficient Bayesian discretization method to biomedical data

    Gopalakrishnan Vanathi

    2011-07-01

    Full Text Available Abstract Background Several data mining methods require data that are discrete, and other methods often perform better with discrete data. We introduce an efficient Bayesian discretization (EBD method for optimal discretization of variables that runs efficiently on high-dimensional biomedical datasets. The EBD method consists of two components, namely, a Bayesian score to evaluate discretizations and a dynamic programming search procedure to efficiently search the space of possible discretizations. We compared the performance of EBD to Fayyad and Irani's (FI discretization method, which is commonly used for discretization. Results On 24 biomedical datasets obtained from high-throughput transcriptomic and proteomic studies, the classification performances of the C4.5 classifier and the naïve Bayes classifier were statistically significantly better when the predictor variables were discretized using EBD over FI. EBD was statistically significantly more stable to the variability of the datasets than FI. However, EBD was less robust, though not statistically significantly so, than FI and produced slightly more complex discretizations than FI. Conclusions On a range of biomedical datasets, a Bayesian discretization method (EBD yielded better classification performance and stability but was less robust than the widely used FI discretization method. The EBD discretization method is easy to implement, permits the incorporation of prior knowledge and belief, and is sufficiently fast for application to high-dimensional data.

  11. Forms of Address as Discrete Modal Operators

    Wojciech Paweł Sosnowski

    2016-12-01

    Full Text Available Forms of Address as Discrete Modal Operators The category of expressions of politeness includes, among others, forms of address. Forms of address express honorification. Honorification can be defined as a special type of meaning that consists of information about the social and interpersonal relations between the speaker and the addressee, the speaker and the hearer, and the speaker and the protagonist of the predication. As far as their place in the syntactic structure is concerned, forms of address can either be integrated with the other elements of a predication or not. However, they are always part of a predication’s semantic structure. Moreover, forms of address convey the speaker’s attitude to the meaning of the predicate that they want to convey, which consequently means that forms of address also carry a modal element. Modality can be defined as a situation in which an individual is in a particular mental state, i.e. exhibits some kind of attitude to a situation or a type of situations. Forms of address can be categorised as modal operators conveying imperatives, requests, suppositions, etc. The term "operator" can be used for a unit of language when it changes the semantic structure of the predication. My research on honorification is mainly based on contemporary corpora, both monolingual and multilingual. In the present study, I analyse forms of address which carry imperative and optative meanings.   Formy adresatywne jako dyskretne operatory modalne W obrębie wyrażeń realizujących funkcje grzecznościowe znajduje się grupa form adresatywnych. Są one częścią kategorii honoryfikatywności rozumianej jako szczególny rodzaj znaczenia zawartego w treści wypowiedzi, informację o towarzysko-społecznej relacji między nadawcą a odbiorcą, nadawcą a słuchaczem oraz nadawcą a bohaterem wypowiedzi. Gramatycznie formy adresatywne mogą być zarówno zintegrowane, jak i niezintegrowane syntaktycznie z resztą wypowiedzi, ale

  12. Is Discrete Mathematics the New Math of the Eighties?

    Hart, Eric W.

    1985-01-01

    Considered are what discrete mathematics includes, some parallels and differences between new math and discrete mathematics (listed in a table), and lessons to be learned. A list of references is included. (MNS)

  13. Comparison of discrete Hodge star operators for surfaces

    Mohamed, Mamdouh S.; Hirani, Anil N.; Samtaney, Ravi

    2016-01-01

    We investigate the performance of various discrete Hodge star operators for discrete exterior calculus (DEC) using circumcentric and barycentric dual meshes. The performance is evaluated through the DEC solution of Darcy and incompressible Navier

  14. Supporting scalable Bayesian networks using configurable discretizer actuators

    Osunmakinde, I

    2009-04-01

    Full Text Available The authors propose a generalized model with configurable discretizer actuators as a solution to the problem of the discretization of massive numerical datasets. Their solution is based on a concurrent distribution of the actuators and uses dynamic...

  15. Dimension Reduction and Discretization in Stochastic Problems by Regression Method

    Ditlevsen, Ove Dalager

    1996-01-01

    The chapter mainly deals with dimension reduction and field discretizations based directly on the concept of linear regression. Several examples of interesting applications in stochastic mechanics are also given.Keywords: Random fields discretization, Linear regression, Stochastic interpolation, ...

  16. On some properties of the discrete Lyapunov exponent

    Amigo, Jose M.; Kocarev, Ljupco; Szczepanski, Janusz

    2008-01-01

    One of the possible by-products of discrete chaos is the application of its tools, in particular of the discrete Lyapunov exponent, to cryptography. In this Letter we explore this question in a very general setting

  17. Breatherlike excitations in discrete lattices with noise and nonlinear damping

    Christiansen, Peter Leth; Gaididei, Yuri B.; Johansson, Magnus

    1997-01-01

    We discuss the stability of highly localized, ''breatherlike,'' excitations in discrete nonlinear lattices under the influence of thermal fluctuations. The particular model considered is the discrete nonlinear Schrodinger equation in the regime of high nonlinearity, where temperature effects...

  18. Discretely tunable micromachined injection-locked lasers

    Cai, H; Yu, M B; Lo, G Q; Kwong, D L; Zhang, X M; Liu, A Q; Liu, B

    2010-01-01

    This paper reports a micromachined injection-locked laser (ILL) to provide tunable discrete wavelengths. It utilizes a non-continuously tunable laser as the master to lock a Fabry–Pérot semiconductor laser chip. Both lasers are integrated into a deep-etched silicon chip with dimensions of 3 mm × 3 mm × 0.8 mm. Based on the experimental results, significant improvements in the optical power and spectral purity have been achieved in the fully locked state, and optical hysteresis and bistability have also been observed in response to the changes of the output wavelength and optical power of the master laser. As a whole system, the micromachined ILL is able to provide single mode, discrete wavelength tuning, high power and direct modulation with small size and single-chip solution, making it promising for advanced optical communications such as wavelength division multiplexing optical access networks.

  19. Discrete instability in the DNA double helix

    Tabi, Conrad Bertrand; Mohamadou, Alidou; Kofane, Timoleon Crepin

    2009-06-01

    Modulational instability (MI) is explored in the framework of the base-rotor model of DNA dynamics. We show in fact that, the helicoidal coupling introduced in the spin model of DNA reduces the system to a modified discrete sine-Gordon (sG) equation. The MI criterion is thus modified and displays interesting features because of the helicoidal coupling. This is confirmed in the numerical analysis where a critical value of the helicoidal coupling constant is derived. In the simulations, we have found that a train of pulses are generated when the lattice is subjected to MI, in agreement with analytical results obtained in a modified discrete sG equation. Also, the competitive effects of the harmonic longitudinal and helicoidal constants on the dynamics of the system are notably pointed out. In the same way, it is shown that MI can lead to energy localization which is high for some values of the helicoidal coupling constant. (author)

  20. Vortices trapped in discrete Josephson rings

    Van der Zanta, H.S.J.; Orlando, T.P.; Watanabe, Shinya; Strogatz, S.H.

    1994-01-01

    We report the first measurements of current- (I-V) characteristics of discrete rings of Josephson junctions. As I is increased, resonant steps appear in the I-V curve, due to phase-locking between a propagating, trapped vortex and the linear waves excited in its wake. Unexpectedly, the phase velocity of the linear waves, not the group velocity, is the physically important quantity and mode numbers outside the Brillouin zone are relevant. Our measurements show that away from the resonant steps, a single vortex can move in an environment with very little damping, making the discrete one-dimensional ring a well-defined model system for the study of ballistic and quantum vortex experiments. ((orig.))

  1. Vortices trapped in discrete Josephson rings

    Van der Zanta, H.S.J. [Department of Electrical Engineering and Computer Science, Massachusetts Institute of Technology, Cambridge, MA 02139 (United States); Orlando, T.P. [Department of Electrical Engineering and Computer Science, Massachusetts Institute of Technology, Cambridge, MA 02139 (United States); Watanabe, Shinya [Department of Mathematics, Massachusetts Institute of Technology, Cambridge, MA 02139 (United States); Strogatz, S.H. [Department of Mathematics, Massachusetts Institute of Technology, Cambridge, MA 02139 (United States)

    1994-12-01

    We report the first measurements of current- (I-V) characteristics of discrete rings of Josephson junctions. As I is increased, resonant steps appear in the I-V curve, due to phase-locking between a propagating, trapped vortex and the linear waves excited in its wake. Unexpectedly, the phase velocity of the linear waves, not the group velocity, is the physically important quantity and mode numbers outside the Brillouin zone are relevant. Our measurements show that away from the resonant steps, a single vortex can move in an environment with very little damping, making the discrete one-dimensional ring a well-defined model system for the study of ballistic and quantum vortex experiments. ((orig.)).

  2. Discrete and continuous simulation theory and practice

    Bandyopadhyay, Susmita

    2014-01-01

    When it comes to discovering glitches inherent in complex systems-be it a railway or banking, chemical production, medical, manufacturing, or inventory control system-developing a simulation of a system can identify problems with less time, effort, and disruption than it would take to employ the original. Advantageous to both academic and industrial practitioners, Discrete and Continuous Simulation: Theory and Practice offers a detailed view of simulation that is useful in several fields of study.This text concentrates on the simulation of complex systems, covering the basics in detail and exploring the diverse aspects, including continuous event simulation and optimization with simulation. It explores the connections between discrete and continuous simulation, and applies a specific focus to simulation in the supply chain and manufacturing field. It discusses the Monte Carlo simulation, which is the basic and traditional form of simulation. It addresses future trends and technologies for simulation, with par...

  3. Juxtaposed color halftoning relying on discrete lines.

    Babaei, Vahid; Hersch, Roger D

    2013-02-01

    Most halftoning techniques allow screen dots to overlap. They rely on the assumption that the inks are transparent, i.e., the inks do not scatter a significant portion of the light back to the air. However, many special effect inks, such as metallic inks, iridescent inks, or pigmented inks, are not transparent. In order to create halftone images, halftone dots formed by such inks should be juxtaposed, i.e., printed side by side. We propose an efficient juxtaposed color halftoning technique for placing any desired number of colorant layers side by side without overlapping. The method uses a monochrome library of screen elements made of discrete lines with rational thicknesses. Discrete line juxtaposed color halftoning is performed efficiently by multiple accesses to the screen element library.

  4. Finite Volumes Discretization of Topology Optimization Problems

    Evgrafov, Anton; Gregersen, Misha Marie; Sørensen, Mads Peter

    , FVMs represent a standard method of discretization within engineering communities dealing with computational uid dy- namics, transport, and convection-reaction problems. Among various avours of FVMs, cell based approaches, where all variables are associated only with cell centers, are particularly...... computations is done using nite element methods (FEMs). Despite some limited recent eorts [1, 2], we have only started to develop our understanding of the interplay between the control in the coecients and FVMs. Recent advances in discrete functional analysis allow us to analyze convergence of FVM...... of the induced parametrization of the design space that allows optimization algorithms to eciently explore it, and the ease of integration with existing computational codes in a variety of application areas, the simplicity and eciency of sensitivity analyses|all stemming from the use of the same grid throughout...

  5. Integral and discrete inequalities and their applications

    Qin, Yuming

    2016-01-01

    This book focuses on one- and multi-dimensional linear integral and discrete Gronwall-Bellman type inequalities. It provides a useful collection and systematic presentation of known and new results, as well as many applications to differential (ODE and PDE), difference, and integral equations. With this work the author fills a gap in the literature on inequalities, offering an ideal source for researchers in these topics. The present volume is part 1 of the author’s two-volume work on inequalities. Integral and discrete inequalities are a very important tool in classical analysis and play a crucial role in establishing the well-posedness of the related equations, i.e., differential, difference and integral equations.

  6. Semi-Discrete Ingham-Type Inequalities

    Komornik, Vilmos; Loreti, Paola

    2007-01-01

    One of the general methods in linear control theory is based on harmonic and non-harmonic Fourier series. The key of this approach is the establishment of various suitable adaptations and generalizations of the classical Parseval equality. A new and systematic approach was begun in our papers in collaboration with Baiocchi. Many recent results of this kind, obtained through various Ingham-type theorems, were exposed recently. Although this work concentrated on continuous models, in connection with numerical simulations a natural question is whether these results also admit useful discrete versions. The purpose of this paper is to establish discrete versions of various Ingham-type theorems by using our approach. They imply the earlier continuous results by a simple limit process

  7. Quantum RLC circuits: Charge discreteness and resonance

    Utreras-Diaz, Constantino A. [Instituto de Fisica, Facultad de Ciencias, Universidad Austral de Chile, Campus Isla Teja s/n, Casilla 567, Valdivia (Chile)], E-mail: cutreras@uach.cl

    2008-10-20

    In a recent article [C.A. Utreras-Diaz, Phys. Lett. A 372 (2008) 5059], we have advanced a semiclassical theory of quantum circuits with discrete charge and electrical resistance. In this work, we present a few elementary applications of this theory. For the zero resistance inductive circuit, we obtain the Stark ladder energies in yet another way; for the circuit driven by a combination d.c. plus a.c. electromotive force (emf) we generalize earlier results by Chandia et al. [K. Chandia, J.C. Flores, E. Lazo, Phys. Lett. A 359 (2006) 693]. As a second application, we investigate the effect of electrical resistance and charge discreteness, in the resonance conditions of a series RLC quantum circuit.

  8. Quantum RLC circuits: Charge discreteness and resonance

    Utreras-Diaz, Constantino A.

    2008-01-01

    In a recent article [C.A. Utreras-Diaz, Phys. Lett. A 372 (2008) 5059], we have advanced a semiclassical theory of quantum circuits with discrete charge and electrical resistance. In this work, we present a few elementary applications of this theory. For the zero resistance inductive circuit, we obtain the Stark ladder energies in yet another way; for the circuit driven by a combination d.c. plus a.c. electromotive force (emf) we generalize earlier results by Chandia et al. [K. Chandia, J.C. Flores, E. Lazo, Phys. Lett. A 359 (2006) 693]. As a second application, we investigate the effect of electrical resistance and charge discreteness, in the resonance conditions of a series RLC quantum circuit

  9. Discrete approach to complex planar geometries

    Cupini, E.; De Matteis, A.

    1974-01-01

    Planar regions in Monte Carlo transport problems have been represented by a finite set of points with a corresponding region index for each. The simulation of particle free-flight reduces then to the simple operations necessary for scanning appropriate grid points to determine whether a region other than the starting one is encountered. When the complexity of the geometry is restricted to only some regions of the assembly examined, a mixed discrete-continuous philosophy may be adopted. By this approach, the lattice of a thermal reactor has been treated, discretizing only the central regions of the cell containing the fuel rods. Excellent agreement with experimental results has been obtained in the computation of cell parameters in the energy range from fission to thermalization through the 238 U resonance region. (U.S.)

  10. Discrete event systems diagnosis and diagnosability

    Sayed-Mouchaweh, Moamar

    2014-01-01

    Discrete Event Systems: Diagnosis and Diagnosability addresses the problem of fault diagnosis of Discrete Event Systems (DES). This book provides the basic techniques and approaches necessary for the design of an efficient fault diagnosis system for a wide range of modern engineering applications. The different techniques and approaches are classified according to several criteria such as: modeling tools (Automata, Petri nets) that is used to construct the model; the information (qualitative based on events occurrences and/or states outputs, quantitative based on signal processing and data analysis) that is needed to analyze and achieve the diagnosis; the decision structure (centralized, decentralized) that is required to achieve the diagnosis. The goal of this classification is to select the efficient method to achieve the fault diagnosis according to the application constraints. This book focuses on the centralized and decentralized event based diagnosis approaches using formal language and automata as mode...

  11. Discrete PID Tuning Using Artificial Intelligence Techniques

    Petr DOLEŽEL

    2009-06-01

    Full Text Available PID controllers are widely used in industry these days due to their useful properties such as simple tuning or robustness. While they are applicable to many control problems, they can perform poorly in some applications. Highly nonlinear system control with constrained manipulated variable can be mentioned as an example. The point of the paper is to string together convenient qualities of conventional PID control and progressive techniques based on Artificial Intelligence. Proposed control method should deal with even highly nonlinear systems. To be more specific, there is described new method of discrete PID controller tuning in this paper. This method tunes discrete PID controller parameters online through the use of genetic algorithm and neural model of controlled system in order to control successfully even highly nonlinear systems. After method description and some discussion, there is performed control simulation and comparison to one chosen conventional control method.

  12. Discrete variable theory of triatomic photodissociation

    Heather, R.W.; Light, J.C.

    1983-01-01

    The coupled equations describing the photodissociation process are expressed in the discrete variable representation (DVR) in which the coupled equations are labeled by quadrature points rather than by internal basis functions. A large reduction in the dimensionality of the coupled equations can be realized since the spatially localized bound state nuclear wave function vanishes at most of the quadrature points, making only certain orientations of the fragments important in the region of strong interaction (small separation). The discrete variable theory of photodissociation is applied to the model dissociation of bent HCN in which the CN fragment is treated as a rigid rotor. The truncated DVR rotational distributions are compared with the exact close coupled rotational distributions, and excellent agreement with greatly reduced dimensionality of the equations is found

  13. Lax Pairs for Discrete Integrable Equations via Darboux Transformations

    Cao Ce-Wen; Zhang Guang-Yao

    2012-01-01

    A method is developed to construct discrete Lax pairs using Darboux transformations. More kinds of Lax pairs are found for some newly appeared discrete integrable equations, including the H1, the special H3 and the Q1 models in the Adler—Bobenko—Suris list and the closely related discrete and semi-discrete pKdV, pMKdV, SG and Liouville equations. (general)

  14. Discrete time analysis of a repairable machine

    Alfa, Attahiru Sule; Castro, I. T.

    2002-01-01

    We consider, in discrete time, a single machine system that operates for a period of time represented by a general distribution. This machine is subject to failures during operations and the occurrence of these failures depends on how many times the machine has previously failed. Some failures are repairable and the repair times may or may not depend on the number of times the machine was previously repaired. Repair times also have a general distribution. The operating times...

  15. Program For Parallel Discrete-Event Simulation

    Beckman, Brian C.; Blume, Leo R.; Geiselman, John S.; Presley, Matthew T.; Wedel, John J., Jr.; Bellenot, Steven F.; Diloreto, Michael; Hontalas, Philip J.; Reiher, Peter L.; Weiland, Frederick P.

    1991-01-01

    User does not have to add any special logic to aid in synchronization. Time Warp Operating System (TWOS) computer program is special-purpose operating system designed to support parallel discrete-event simulation. Complete implementation of Time Warp mechanism. Supports only simulations and other computations designed for virtual time. Time Warp Simulator (TWSIM) subdirectory contains sequential simulation engine interface-compatible with TWOS. TWOS and TWSIM written in, and support simulations in, C programming language.

  16. Discrete Alfven waves in the TORTUS tokamak

    Amagishi, Y.; Ballico, M.J.; Cross, R.C.; Donnely, I.J.

    1989-01-01

    Discrete Alfven Waves (DAWs) have been observed as antenna resistance peaks and as enhanced edge fields in the TORTUS tokamak during Alfven wave heating experiments. A kinetic theory code has been used to calculate the antenna loading and the structure of the DAW fields for a range of plasma current and density profiles. There is fair agreement between the measured and predicted amplitude of the DAW fields in the plasma edge when both are normalized to the same antenna power

  17. Nuclear data preparation and discrete ordinates calculation

    Carmignani, B.

    1980-01-01

    These lectures deal with the use of the GAM-GATHER and GAM-THERMOS chains for the calculation of lattice cross sections and within use of the discrete ordinates one dimensional ANISN code for the calculation of criticality and flux distribution of the cell and of the whole reactor. As an example the codes are applied to the calculation of a PWR. Results of different approximations are compared. (author)

  18. Discrete Ricci Flow in Higher Dimensions

    2015-02-01

    recently, we showed analytically that the SRF equations converged to the continuum RF equations for the neck-pinch 3- geometry [10]. In this analysis we also...Hamilton’s RF. It is the first dimensionally agnostic generalization of RF for PL geometries . We refer to our approach as simplicial Ricci flow (SRF). For a...Discrete Exterior Calculus , Regge Calculus , Piecewise Linear Complex 16. SECURITY CLASSIFICATION OF: 17. LIMITATION OF ABSTRACT SAR 18. NUMBER

  19. Discrete mathematics course supported by CAS MATHEMATICA

    Ivanov, O. A.; Ivanova, V. V.; Saltan, A. A.

    2017-08-01

    In this paper, we discuss examples of assignments for a course in discrete mathematics for undergraduate students majoring in business informatics. We consider several problems with computer-based solutions and discuss general strategies for using computers in teaching mathematics and its applications. In order to evaluate the effectiveness of our approach, we conducted an anonymous survey. The results of the survey provide evidence that our approach contributes to high outcomes and aligns with the course aims and objectives.

  20. "Minesweeper" and spectrum of discrete Laplacians

    German, Oleg; Lakshtanov, Evgeny

    2008-01-01

    The paper is devoted to a problem inspired by the "Minesweeper" computer game. It is shown that certain configurations of open cells guarantee the existence and the uniqueness of solution. Mathematically the problem is reduced to some spectral properties of discrete differential operators. It is shown how the uniqueness can be used to create a new game which preserves the spirit of "Minesweeper" but does not require a computer.

  1. A variational synthesis nodal discrete ordinates method

    Favorite, J.A.; Stacey, W.M.

    1999-01-01

    A self-consistent nodal approximation method for computing discrete ordinates neutron flux distributions has been developed from a variational functional for neutron transport theory. The advantage of the new nodal method formulation is that it is self-consistent in its definition of the homogenized nodal parameters, the construction of the global nodal equations, and the reconstruction of the detailed flux distribution. The efficacy of the method is demonstrated by two-dimensional test problems

  2. Flexible Visual Quality Inspection in Discrete Manufacturing

    Petković, Tomislav; Jurić, Darko; Lončarić, Sven

    2013-01-01

    Most visual quality inspections in discrete manufacturing are composed of length, surface, angle or intensity measurements. Those are implemented as end-user configurable inspection tools that should not require an image processing expert to set up. Currently available software solutions providing such capability use a flowchart based programming environment, but do not fully address an inspection flowchart robustness and can require a redefinition of the flowchart if a small variation is int...

  3. Hyponormal differential operators with discrete spectrum

    Zameddin I. Ismailov

    2010-01-01

    Full Text Available In this work, we first describe all the maximal hyponormal extensions of a minimal operator generated by a linear differential-operator expression of the first-order in the Hilbert space of vector-functions in a finite interval. Next, we investigate the discreteness of the spectrum and the asymptotical behavior of the modules of the eigenvalues for these maximal hyponormal extensions.

  4. Generalized Detectability for Discrete Event Systems

    Shu, Shaolong; Lin, Feng

    2011-01-01

    In our previous work, we investigated detectability of discrete event systems, which is defined as the ability to determine the current and subsequent states of a system based on observation. For different applications, we defined four types of detectabilities: (weak) detectability, strong detectability, (weak) periodic detectability, and strong periodic detectability. In this paper, we extend our results in three aspects. (1) We extend detectability from deterministic systems to nondeterministic systems. Such a generalization is necessary because there are many systems that need to be modeled as nondeterministic discrete event systems. (2) We develop polynomial algorithms to check strong detectability. The previous algorithms are based on observer whose construction is of exponential complexity, while the new algorithms are based on a new automaton called detector. (3) We extend detectability to D-detectability. While detectability requires determining the exact state of a system, D-detectability relaxes this requirement by asking only to distinguish certain pairs of states. With these extensions, the theory on detectability of discrete event systems becomes more applicable in solving many practical problems. PMID:21691432

  5. New formulation of the discrete element method

    Rojek, Jerzy; Zubelewicz, Aleksander; Madan, Nikhil; Nosewicz, Szymon

    2018-01-01

    A new original formulation of the discrete element method based on the soft contact approach is presented in this work. The standard DEM has heen enhanced by the introduction of the additional (global) deformation mode caused by the stresses in the particles induced by the contact forces. Uniform stresses and strains are assumed for each particle. The stresses are calculated from the contact forces. The strains are obtained using an inverse constitutive relationship. The strains allow us to obtain deformed particle shapes. The deformed shapes (ellipses) are taken into account in contact detection and evaluation of the contact forces. A simple example of a uniaxial compression of a rectangular specimen, discreti.zed with equal sized particles is simulated to verify the DDEM algorithm. The numerical example shows that a particle deformation changes the particle interaction and the distribution of forces in the discrete element assembly. A quantitative study of micro-macro elastic properties proves the enhanced capabilities of the DDEM as compared to standard DEM.

  6. Inferring gene networks from discrete expression data

    Zhang, L.

    2013-07-18

    The modeling of gene networks from transcriptional expression data is an important tool in biomedical research to reveal signaling pathways and to identify treatment targets. Current gene network modeling is primarily based on the use of Gaussian graphical models applied to continuous data, which give a closedformmarginal likelihood. In this paper,we extend network modeling to discrete data, specifically data from serial analysis of gene expression, and RNA-sequencing experiments, both of which generate counts of mRNAtranscripts in cell samples.We propose a generalized linear model to fit the discrete gene expression data and assume that the log ratios of the mean expression levels follow a Gaussian distribution.We restrict the gene network structures to decomposable graphs and derive the graphs by selecting the covariance matrix of the Gaussian distribution with the hyper-inverse Wishart priors. Furthermore, we incorporate prior network models based on gene ontology information, which avails existing biological information on the genes of interest. We conduct simulation studies to examine the performance of our discrete graphical model and apply the method to two real datasets for gene network inference. © The Author 2013. Published by Oxford University Press. All rights reserved.

  7. Police investigations: discretion denied yet undeniably exercised

    Belur, J.; Tilley, N.; Osrin, D.; Daruwalla, N.; Kumar, M.; Tiwari, V.

    2014-01-01

    Police investigations involve determining whether a crime has been committed, and if so what type of crime, who has committed it and whether there is the evidence to charge the perpetrators. Drawing on fieldwork in Delhi and Mumbai, this paper explores how police investigations unfolded in the specific context of women’s deaths by burning in India. In particular, it focuses on the use of discretion despite its denial by those exercising it. In India, there are distinctive statutes relating to women’s suspicious deaths, reflecting the widespread expectation that the bride’s family will pay a dowry to the groom’s family and the tensions to which this may on occasion give rise in the early years of a marriage. Often, there are conflicting claims influencing how the woman’s death is classified. These in turn affect police investigation. The nature and direction of police discretion in investigating women’s deaths by burning reflect in part the unique nature of the legislation and the particular sensitivities in relation to these types of death. They also highlight processes that are liable to be at work in any crime investigation. It was found that police officers exercised unacknowledged discretion at seven specific points in the investigative process, with potentially significant consequences for the achievement of just outcomes: first response, recording the victim’s ‘dying declaration’, inquest, registering of the ‘First Information Report’, collecting evidence, arrest and framing of the charges. PMID:26376482

  8. Meshes optimized for discrete exterior calculus (DEC).

    Mousley, Sarah C. [Univ. of Illinois, Urbana-Champaign, IL (United States); Deakin, Michael [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Knupp, Patrick [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Mitchell, Scott A. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2017-12-01

    We study the optimization of an energy function used by the meshing community to measure and improve mesh quality. This energy is non-traditional because it is dependent on both the primal triangulation and its dual Voronoi (power) diagram. The energy is a measure of the mesh's quality for usage in Discrete Exterior Calculus (DEC), a method for numerically solving PDEs. In DEC, the PDE domain is triangulated and this mesh is used to obtain discrete approximations of the continuous operators in the PDE. The energy of a mesh gives an upper bound on the error of the discrete diagonal approximation of the Hodge star operator. In practice, one begins with an initial mesh and then makes adjustments to produce a mesh of lower energy. However, we have discovered several shortcomings in directly optimizing this energy, e.g. its non-convexity, and we show that the search for an optimized mesh may lead to mesh inversion (malformed triangles). We propose a new energy function to address some of these issues.

  9. Adaptive discrete-ordinates algorithms and strategies

    Stone, J.C.; Adams, M.L.

    2005-01-01

    We present our latest algorithms and strategies for adaptively refined discrete-ordinates quadrature sets. In our basic strategy, which we apply here in two-dimensional Cartesian geometry, the spatial domain is divided into regions. Each region has its own quadrature set, which is adapted to the region's angular flux. Our algorithms add a 'test' direction to the quadrature set if the angular flux calculated at that direction differs by more than a user-specified tolerance from the angular flux interpolated from other directions. Different algorithms have different prescriptions for the method of interpolation and/or choice of test directions and/or prescriptions for quadrature weights. We discuss three different algorithms of different interpolation orders. We demonstrate through numerical results that each algorithm is capable of generating solutions with negligible angular discretization error. This includes elimination of ray effects. We demonstrate that all of our algorithms achieve a given level of error with far fewer unknowns than does a standard quadrature set applied to an entire problem. To address a potential issue with other algorithms, we present one algorithm that retains exact integration of high-order spherical-harmonics functions, no matter how much local refinement takes place. To address another potential issue, we demonstrate that all of our methods conserve partial currents across interfaces where quadrature sets change. We conclude that our approach is extremely promising for solving the long-standing problem of angular discretization error in multidimensional transport problems. (authors)

  10. Single-crossover recombination in discrete time.

    von Wangenheim, Ute; Baake, Ellen; Baake, Michael

    2010-05-01

    Modelling the process of recombination leads to a large coupled nonlinear dynamical system. Here, we consider a particular case of recombination in discrete time, allowing only for single crossovers. While the analogous dynamics in continuous time admits a closed solution (Baake and Baake in Can J Math 55:3-41, 2003), this no longer works for discrete time. A more general model (i.e. without the restriction to single crossovers) has been studied before (Bennett in Ann Hum Genet 18:311-317, 1954; Dawson in Theor Popul Biol 58:1-20, 2000; Linear Algebra Appl 348:115-137, 2002) and was solved algorithmically by means of Haldane linearisation. Using the special formalism introduced by Baake and Baake (Can J Math 55:3-41, 2003), we obtain further insight into the single-crossover dynamics and the particular difficulties that arise in discrete time. We then transform the equations to a solvable system in a two-step procedure: linearisation followed by diagonalisation. Still, the coefficients of the second step must be determined in a recursive manner, but once this is done for a given system, they allow for an explicit solution valid for all times.

  11. Discrete dynamic modeling of cellular signaling networks.

    Albert, Réka; Wang, Rui-Sheng

    2009-01-01

    Understanding signal transduction in cellular systems is a central issue in systems biology. Numerous experiments from different laboratories generate an abundance of individual components and causal interactions mediating environmental and developmental signals. However, for many signal transduction systems there is insufficient information on the overall structure and the molecular mechanisms involved in the signaling network. Moreover, lack of kinetic and temporal information makes it difficult to construct quantitative models of signal transduction pathways. Discrete dynamic modeling, combined with network analysis, provides an effective way to integrate fragmentary knowledge of regulatory interactions into a predictive mathematical model which is able to describe the time evolution of the system without the requirement for kinetic parameters. This chapter introduces the fundamental concepts of discrete dynamic modeling, particularly focusing on Boolean dynamic models. We describe this method step-by-step in the context of cellular signaling networks. Several variants of Boolean dynamic models including threshold Boolean networks and piecewise linear systems are also covered, followed by two examples of successful application of discrete dynamic modeling in cell biology.

  12. An essay on discrete foundations for physics

    Noyes, H.P.; McGoveran, D.O.

    1988-07-01

    We base our theory of physics and cosmology on the five principles of finiteness, discreteness, finite computability, absolute non-uniqueness, and strict construction. Our modeling methodology starts from the current practice of physics, constructs a self-consistent representation based on the ordering operator calculus and provides rules of correspondence that allow us to test the theory by experiment. We use program universe to construct a growing collection of bit strings whose initial portions (labels) provide the quantum numbers that are conserved in the events defined by the construction. The labels are followed by content strings which are used to construct event-based finite and discrete coordinates. On general grounds such a theory has a limiting velocity, and positions and velocities do not commute. We therefore reconcile quantum mechanics with relativity at an appropriately fundamental stage in the construction. We show that events in different coordinate systems are connected by the appropriate finite and discrete version of the Lorentz transformation, that 3-momentum is conserved in events, and that this conservation law is the same as the requirement that different paths can ''interfere'' only when they differ by an integral number of deBroglie wavelengths. 38 refs., 12 figs., 3 tabs

  13. An essay on discrete foundations for physics

    Noyes, H.P.; McGoveran, D.O.

    1988-07-01

    We base our theory of physics and cosmology on the five principles of finiteness, discreteness, finite computability, absolute non-uniqueness, and strict construction. Our modeling methodology starts from the current practice of physics, constructs a self-consistent representation based on the ordering operator calculus and provides rules of correspondence that allow us to test the theory by experiment. We use program universe to construct a growing collection of bit strings whose initial portions (labels) provide the quantum numbers that are conserved in the events defined by the construction. The labels are followed by content strings which are used to construct event-based finite and discrete coordinates. On general grounds such a theory has a limiting velocity, and positions and velocities do not commute. We therefore reconcile quantum mechanics with relativity at an appropriately fundamental stage in the construction. We show that events in different coordinate systems are connected by the appropriate finite and discrete version of the Lorentz transformation, that 3-momentum is conserved in events, and that this conservation law is the same as the requirement that different paths can ''interfere'' only when they differ by an integral number of deBroglie wavelengths. 38 refs., 12 figs., 3 tabs.

  14. An essay on discrete foundations for physics

    Noyes, H.P.; McGoveran, D.O.

    1988-10-05

    We base our theory of physics and cosmology on the five principles of finiteness, discreteness, finite computability, absolute non- uniqueness, and strict construction. Our modeling methodology starts from the current practice of physics, constructs a self-consistent representation based on the ordering operator calculus and provides rules of correspondence that allow us to test the theory by experiment. We use program universe to construct a growing collection of bit strings whose initial portions (labels) provide the quantum numbers that are conserved in the events defined by the construction. The labels are followed by content strings which are used to construct event-based finite and discrete coordinates. On general grounds such a theory has a limiting velocity, and positions and velocities do not commute. We therefore reconcile quantum mechanics with relativity at an appropriately fundamental stage in the construction. We show that events in different coordinate systems are connected by the appropriate finite and discrete version of the Lorentz transformation, that 3-momentum is conserved in events, and that this conservation law is the same as the requirement that different paths can ''interfere'' only when they differ by an integral number of deBroglie wavelengths. 38 refs., 12 figs., 3 tabs.

  15. Quantum cosmology based on discrete Feynman paths

    Chew, Geoffrey F.

    2002-01-01

    Although the rules for interpreting local quantum theory imply discretization of process, Lorentz covariance is usually regarded as precluding time quantization. Nevertheless a time-discretized quantum representation of redshifting spatially-homogeneous universe may be based on discrete-step Feynman paths carrying causal Lorentz-invariant action--paths that not only propagate the wave function but provide a phenomenologically-promising elementary-particle Hilbert-space basis. In a model under development, local path steps are at Planck scale while, at a much larger ''wave-function scale'', global steps separate successive wave-functions. Wave-function spacetime is but a tiny fraction of path spacetime. Electromagnetic and gravitational actions are ''at a distance'' in Wheeler-Feynman sense while strong (color) and weak (isospin) actions, as well as action of particle motion, are ''local'' in a sense paralleling the action of local field theory. ''Nonmaterial'' path segments and ''trivial events'' collaborate to define energy and gravity. Photons coupled to conserved electric charge enjoy privileged model status among elementary fermions and vector bosons. Although real path parameters provide no immediate meaning for ''measurement'', the phase of the complex wave function allows significance for ''information'' accumulated through ''gentle'' electromagnetic events involving charged matter and ''soft'' photons. Through its soft-photon content the wave function is an ''information reservoir''

  16. An essay on discrete foundations for physics

    Noyes, H.P.; McGoveran, D.O.

    1988-01-01

    We base our theory of physics and cosmology on the five principles of finiteness, discreteness, finite computability, absolute non- uniqueness, and strict construction. Our modeling methodology starts from the current practice of physics, constructs a self-consistent representation based on the ordering operator calculus and provides rules of correspondence that allow us to test the theory by experiment. We use program universe to construct a growing collection of bit strings whose initial portions (labels) provide the quantum numbers that are conserved in the events defined by the construction. The labels are followed by content strings which are used to construct event-based finite and discrete coordinates. On general grounds such a theory has a limiting velocity, and positions and velocities do not commute. We therefore reconcile quantum mechanics with relativity at an appropriately fundamental stage in the construction. We show that events in different coordinate systems are connected by the appropriate finite and discrete version of the Lorentz transformation, that 3-momentum is conserved in events, and that this conservation law is the same as the requirement that different paths can ''interfere'' only when they differ by an integral number of deBroglie wavelengths. 38 refs., 12 figs., 3 tabs

  17. Discrete phase space based on finite fields

    Gibbons, Kathleen S.; Hoffman, Matthew J.; Wootters, William K.

    2004-01-01

    The original Wigner function provides a way of representing in phase space the quantum states of systems with continuous degrees of freedom. Wigner functions have also been developed for discrete quantum systems, one popular version being defined on a 2Nx2N discrete phase space for a system with N orthogonal states. Here we investigate an alternative class of discrete Wigner functions, in which the field of real numbers that labels the axes of continuous phase space is replaced by a finite field having N elements. There exists such a field if and only if N is a power of a prime; so our formulation can be applied directly only to systems for which the state-space dimension takes such a value. Though this condition may seem limiting, we note that any quantum computer based on qubits meets the condition and can thus be accommodated within our scheme. The geometry of our NxN phase space also leads naturally to a method of constructing a complete set of N+1 mutually unbiased bases for the state space

  18. Discrete convolution-operators and radioactive disintegration. [Numerical solution

    Kalla, S L; VALENTINUZZI, M E [UNIVERSIDAD NACIONAL DE TUCUMAN (ARGENTINA). FACULTAD DE CIENCIAS EXACTAS Y TECNOLOGIA

    1975-08-01

    The basic concepts of discrete convolution and discrete convolution-operators are briefly described. Then, using the discrete convolution - operators, the differential equations associated with the process of radioactive disintegration are numerically solved. The importance of the method is emphasized to solve numerically, differential and integral equations.

  19. Discrete frequency identification using the HP 5451B Fourier analyser

    Holland, L.; Barry, P.

    1977-01-01

    The frequency analysis by the HP5451B discrete frequency Fourier analyser is studied. The advantages of cross correlation analysis to identify discrete frequencies in a background noise are discussed in conjuction with the elimination of aliasing and wraparound error. Discrete frequency identification is illustrated by a series of graphs giving the results of analysing 'electrical' and 'acoustical' white noise and sinusoidal signals [pt

  20. Time-Discrete Higher-Order ALE Formulations: Stability

    Bonito, Andrea; Kyza, Irene; Nochetto, Ricardo H.

    2013-01-01

    on the stability of the PDE but may influence that of a discrete scheme. We examine this critical issue for higher-order time stepping without space discretization. We propose time-discrete discontinuous Galerkin (dG) numerical schemes of any order for a time

  1. A Variational Approach to Perturbed Discrete Anisotropic Equations

    Amjad Salari

    2016-01-01

    Full Text Available We continue the study of discrete anisotropic equations and we will provide new multiplicity results of the solutions for a discrete anisotropic equation. We investigate the existence of infinitely many solutions for a perturbed discrete anisotropic boundary value problem. The approach is based on variational methods and critical point theory.

  2. Mittag-Leffler function for discrete fractional modelling

    Guo-Cheng Wu

    2016-01-01

    Full Text Available From the difference equations on discrete time scales, this paper numerically investigates one discrete fractional difference equation in the Caputo delta’s sense which has an explicit solution in form of the discrete Mittag-Leffler function. The exact numerical values of the solutions are given in comparison with the truncated Mittag-Leffler function.

  3. Applications of exterior difference systems to variations in discrete mechanics

    Xie Zheng; Li Hongbo

    2008-01-01

    In discrete mechanics, difference equations describe the fundamental physical laws and exhibit many geometric properties. Can these equations be obtained in a geometric way? Using some techniques in exterior difference systems, we investigate the discrete variational problem. As an application, we give a positive answer to the above question for the discrete Newton's, Euler-Lagrange, and Hamilton's equations

  4. Process algebra with timing : real time and discrete time

    Baeten, J.C.M.; Middelburg, C.A.; Bergstra, J.A.; Ponse, A.J.; Smolka, S.A.

    2001-01-01

    We present real time and discrete time versions of ACP with absolute timing and relative timing. The starting-point is a new real time version with absolute timing, called ACPsat, featuring urgent actions and a delay operator. The discrete time versions are conservative extensions of the discrete

  5. A Baecklund transformation between two integrable discrete hungry systems

    Fukuda, Akiko, E-mail: j1409704@ed.kagu.tus.ac.j [Department of Mathematical Information Science, Graduate School of Science, Tokyo University of Science, 1-3 Kagurazaka, Shinjuku-ku, Tokyo 162-8601 (Japan); Yamamoto, Yusaku [Graduate School of System Informatics, Kobe University, 1-1 Rokkodai-cho, Nada-ku, Kobe 657-8501 (Japan); Iwasaki, Masashi [Department of Informatics and Environmental Science, Kyoto Prefectural University, 1-5, Nakaragi-cho, Shimogamo, Sakyo-ku, Kyoto 606-8522 (Japan); Ishiwata, Emiko [Department of Mathematical Information Science, Tokyo University of Science, 1-3 Kagurazaka, Shinjuku-ku, Tokyo 162-8601 (Japan); Nakamura, Yoshimasa [Graduate School of Informatics, Kyoto University, Yoshida-Honmachi, Sakyo-ku, Kyoto 606-8501 (Japan)

    2011-01-17

    The discrete hungry Toda (dhToda) equation and the discrete hungry Lotka-Volterra (dhLV) system are known as integrable discrete hungry systems. In this Letter, through finding the LR transformations associated with the dhToda equation and the dhLV system, we present a Baecklund transformation between these integrable systems.

  6. A Baecklund transformation between two integrable discrete hungry systems

    Fukuda, Akiko; Yamamoto, Yusaku; Iwasaki, Masashi; Ishiwata, Emiko; Nakamura, Yoshimasa

    2011-01-01

    The discrete hungry Toda (dhToda) equation and the discrete hungry Lotka-Volterra (dhLV) system are known as integrable discrete hungry systems. In this Letter, through finding the LR transformations associated with the dhToda equation and the dhLV system, we present a Baecklund transformation between these integrable systems.

  7. Multivariable biorthogonal continuous--discrete Wilson and Racah polynomials

    Tratnik, M.V.

    1990-01-01

    Several families of multivariable, biorthogonal, partly continuous and partly discrete, Wilson polynomials are presented. These yield limit cases that are purely continuous in some of the variables and purely discrete in the others, or purely discrete in all the variables. The latter are referred to as the multivariable biorthogonal Racah polynomials. Interesting further limit cases include the multivariable biorthogonal Hahn and dual Hahn polynomials

  8. Finite-dimensional reductions of the discrete Toda chain

    Kazakova, T G

    2004-01-01

    The problem of construction of integrable boundary conditions for the discrete Toda chain is considered. The restricted chains for properly chosen closure conditions are reduced to the well-known discrete Painleve equations dP III , dP V , dP VI . Lax representations for these discrete Painleve equations are found

  9. Process algebra with timing: Real time and discrete time

    Baeten, J.C.M.; Middelburg, C.A.

    1999-01-01

    We present real time and discrete time versions of ACP with absolute timing and relative timing. The startingpoint is a new real time version with absolute timing, called ACPsat , featuring urgent actions and a delay operator. The discrete time versions are conservative extensions of the discrete

  10. Are polynuclear superhalogens without halogen atoms probable? A high-level ab initio case study on triple-bridged binuclear anions with cyanide ligands

    Yin, Bing; Li, Teng; Li, Jin-Feng; Yu, Yang; Li, Jian-Li; Wen, Zhen-Yi; Jiang, Zhen-Yi

    2014-03-01

    The first theoretical exploration of superhalogen properties of polynuclear structures based on pseudohalogen ligand is reported here via a case study on eight triply-bridged [Mg2(CN)5]- clusters. From our high-level ab initio results, all these clusters are superhalogens due to their high vertical electron detachment energies (VDE), of which the largest value is 8.67 eV at coupled-cluster single double triple (CCSD(T)) level. Although outer valence Green's function results are consistent with CCSD(T) in most cases, it overestimates the VDEs of three anions dramatically by more than 1 eV. Therefore, the combined usage of several theoretical methods is important for the accuracy of purely theoretical prediction of superhalogen properties of new structures. Spatial distribution of the extra electron of high-VDE anions here indicates two features: remarkable aggregation on bridging CN units and non-negligible distribution on every CN unit. These two features lower the potential and kinetic energies of the extra electron respectively and thus lead to high VDE. Besides superhalogen properties, the structures, relative stabilities and thermodynamic stabilities with respect to detachment of CN-1 were also investigated for these anions. The collection of these results indicates that polynuclear structures based on pseudohalogen ligand are promising candidates for new superhalogens with enhanced properties.

  11. Are superhalogens without halogen ligand capable of transcending traditional halogen-based superhalogens? Ab initio case study of binuclear anions based on pseudohalogen ligand

    Li, Jin-Feng; Sun, Yin-Yin; Li, Miao-Miao; Li, Jian-Li; Yin, Bing; Bai, Hongcun

    2015-01-01

    The superhalogen properties of polynuclear structures without halogen ligand are theoretically explored here for several [M 2 (CN) 5 ] −1 (M =  Ca, Be) clusters. At CCSD(T) level, these clusters have been confirmed to be superhalogens due to their high vertical electron detachment energies (VDE). The largest one is 9.70 eV for [Ca 2 (CN) 5 ] −1 which is even higher than those of corresponding traditional structures based on fluorine or chlorine ligands. Therefore the superhalogens stronger than the traditional halogen-based structures could be realized by ligands other than halogen atoms. Compared with CCSD(T), outer valence Green’s function (OVGF) method either overestimates or underestimates the VDEs for different structures while MP2 results are generally consistent in the aspect of relative values. The extra electrons of the highest VDE anions here aggregate on the bridging CN units with non-negligible distribution occurring on other CN units too. These two features lower both the potential and kinetic energies of the extra electron respectively and thus lead to high VDE. Besides superhalogen properties, the structures, relative stabilities and thermodynamic stabilities with respect to the detachment of cyanide ligand were also investigated. The sum of these results identifies the potential of polynuclear structures with pseudohalogen ligand as suitable candidates with enhanced superhalogens properties

  12. Are polynuclear superhalogens without halogen atoms probable? A high-level ab initio case study on triple-bridged binuclear anions with cyanide ligands

    Yin, Bing; Wen, Zhen-Yi; Li, Teng; Li, Jin-Feng; Yu, Yang; Li, Jian-Li; Jiang, Zhen-Yi

    2014-01-01

    The first theoretical exploration of superhalogen properties of polynuclear structures based on pseudohalogen ligand is reported here via a case study on eight triply-bridged [Mg 2 (CN) 5 ] − clusters. From our high-level ab initio results, all these clusters are superhalogens due to their high vertical electron detachment energies (VDE), of which the largest value is 8.67 eV at coupled-cluster single double triple (CCSD(T)) level. Although outer valence Green's function results are consistent with CCSD(T) in most cases, it overestimates the VDEs of three anions dramatically by more than 1 eV. Therefore, the combined usage of several theoretical methods is important for the accuracy of purely theoretical prediction of superhalogen properties of new structures. Spatial distribution of the extra electron of high-VDE anions here indicates two features: remarkable aggregation on bridging CN units and non-negligible distribution on every CN unit. These two features lower the potential and kinetic energies of the extra electron respectively and thus lead to high VDE. Besides superhalogen properties, the structures, relative stabilities and thermodynamic stabilities with respect to detachment of CN −1 were also investigated for these anions. The collection of these results indicates that polynuclear structures based on pseudohalogen ligand are promising candidates for new superhalogens with enhanced properties

  13. Are superhalogens without halogen ligand capable of transcending traditional halogen-based superhalogens? Ab initio case study of binuclear anions based on pseudohalogen ligand

    Li, Jin-Feng; Sun, Yin-Yin; Bai, Hongcun; Li, Miao-Miao; Li, Jian-Li; Yin, Bing

    2015-06-01

    The superhalogen properties of polynuclear structures without halogen ligand are theoretically explored here for several [M2(CN)5]-1 (M = Ca, Be) clusters. At CCSD(T) level, these clusters have been confirmed to be superhalogens due to their high vertical electron detachment energies (VDE). The largest one is 9.70 eV for [Ca2(CN)5]-1 which is even higher than those of corresponding traditional structures based on fluorine or chlorine ligands. Therefore the superhalogens stronger than the traditional halogen-based structures could be realized by ligands other than halogen atoms. Compared with CCSD(T), outer valence Green's function (OVGF) method either overestimates or underestimates the VDEs for different structures while MP2 results are generally consistent in the aspect of relative values. The extra electrons of the highest VDE anions here aggregate on the bridging CN units with non-negligible distribution occurring on other CN units too. These two features lower both the potential and kinetic energies of the extra electron respectively and thus lead to high VDE. Besides superhalogen properties, the structures, relative stabilities and thermodynamic stabilities with respect to the detachment of cyanide ligand were also investigated. The sum of these results identifies the potential of polynuclear structures with pseudohalogen ligand as suitable candidates with enhanced superhalogens properties.

  14. Are superhalogens without halogen ligand capable of transcending traditional halogen-based superhalogens? Ab initio case study of binuclear anions based on pseudohalogen ligand

    Li, Jin-Feng; Sun, Yin-Yin; Li, Miao-Miao; Li, Jian-Li; Yin, Bing, E-mail: rayinyin@nwu.edu.cn [MOE Key Laboratory of Synthetic and Natural Functional Molecule Chemistry, Shaanxi Key Laboratory of Physico-Inorganic Chemistry, College of Chemistry and Materials Science, Northwest University, Xi’an 710069 (China); Bai, Hongcun [Key Laboratory of Energy Source and Chemical Engineering, Ningxia University, Yinchuan, Ningxia 750021 (China)

    2015-06-15

    The superhalogen properties of polynuclear structures without halogen ligand are theoretically explored here for several [M{sub 2}(CN){sub 5}]{sup −1} (M =  Ca, Be) clusters. At CCSD(T) level, these clusters have been confirmed to be superhalogens due to their high vertical electron detachment energies (VDE). The largest one is 9.70 eV for [Ca{sub 2}(CN){sub 5}]{sup −1} which is even higher than those of corresponding traditional structures based on fluorine or chlorine ligands. Therefore the superhalogens stronger than the traditional halogen-based structures could be realized by ligands other than halogen atoms. Compared with CCSD(T), outer valence Green’s function (OVGF) method either overestimates or underestimates the VDEs for different structures while MP2 results are generally consistent in the aspect of relative values. The extra electrons of the highest VDE anions here aggregate on the bridging CN units with non-negligible distribution occurring on other CN units too. These two features lower both the potential and kinetic energies of the extra electron respectively and thus lead to high VDE. Besides superhalogen properties, the structures, relative stabilities and thermodynamic stabilities with respect to the detachment of cyanide ligand were also investigated. The sum of these results identifies the potential of polynuclear structures with pseudohalogen ligand as suitable candidates with enhanced superhalogens properties.

  15. Are polynuclear superhalogens without halogen atoms probable? A high-level ab initio case study on triple-bridged binuclear anions with cyanide ligands

    Yin, Bing, E-mail: rayinyin@gmail.com; Wen, Zhen-Yi [MOE Key Laboratory of Synthetic and Natural Functional Molecule Chemistry, Shaanxi Key Laboratory of Physico-Inorganic Chemistry, College of Chemistry and Materials Science, Northwest University, Xi' an 710069 (China); Institute of Modern Physics, Northwest University, Xi' an 710069 (China); Li, Teng; Li, Jin-Feng; Yu, Yang; Li, Jian-Li [MOE Key Laboratory of Synthetic and Natural Functional Molecule Chemistry, Shaanxi Key Laboratory of Physico-Inorganic Chemistry, College of Chemistry and Materials Science, Northwest University, Xi' an 710069 (China); Jiang, Zhen-Yi [Institute of Modern Physics, Northwest University, Xi' an 710069 (China)

    2014-03-07

    The first theoretical exploration of superhalogen properties of polynuclear structures based on pseudohalogen ligand is reported here via a case study on eight triply-bridged [Mg{sub 2}(CN){sub 5}]{sup −} clusters. From our high-level ab initio results, all these clusters are superhalogens due to their high vertical electron detachment energies (VDE), of which the largest value is 8.67 eV at coupled-cluster single double triple (CCSD(T)) level. Although outer valence Green's function results are consistent with CCSD(T) in most cases, it overestimates the VDEs of three anions dramatically by more than 1 eV. Therefore, the combined usage of several theoretical methods is important for the accuracy of purely theoretical prediction of superhalogen properties of new structures. Spatial distribution of the extra electron of high-VDE anions here indicates two features: remarkable aggregation on bridging CN units and non-negligible distribution on every CN unit. These two features lower the potential and kinetic energies of the extra electron respectively and thus lead to high VDE. Besides superhalogen properties, the structures, relative stabilities and thermodynamic stabilities with respect to detachment of CN{sup −1} were also investigated for these anions. The collection of these results indicates that polynuclear structures based on pseudohalogen ligand are promising candidates for new superhalogens with enhanced properties.

  16. Discrete exterior geometry approach to structure-preserving discretization of distributed-parameter port-Hamiltonian systems

    Seslija, Marko; van der Schaft, Arjan; Scherpen, Jacquelien M.A.

    This paper addresses the issue of structure-preserving discretization of open distributed-parameter systems with Hamiltonian dynamics. Employing the formalism of discrete exterior calculus, we introduce a simplicial Dirac structure as a discrete analogue of the Stokes-Dirac structure and demonstrate

  17. A discrete exterior approach to structure-preserving discretization of distributed-parameter port-Hamiltonian systems

    Seslija, Marko; Scherpen, Jacquelien M.A.; van der Schaft, Arjan

    2011-01-01

    This paper addresses the issue of structure-preserving discretization of open distributed-parameter systems with Hamiltonian dynamics. Employing the formalism of discrete exterior calculus, we introduce simplicial Dirac structures as discrete analogues of the Stokes-Dirac structure and demonstrate

  18. Rational solutions of the discrete time Toda lattice and the alternate discrete Painleve II equation

    Common, Alan K; Hone, Andrew N W

    2008-01-01

    The Yablonskii-Vorob'ev polynomials y n (t), which are defined by a second-order bilinear differential-difference equation, provide rational solutions of the Toda lattice. They are also polynomial tau-functions for the rational solutions of the second Painleve equation (P II ). Here we define two-variable polynomials Y n (t, h) on a lattice with spacing h, by considering rational solutions of the discrete time Toda lattice as introduced by Suris. These polynomials are shown to have many properties that are analogous to those of the Yablonskii-Vorob'ev polynomials, to which they reduce when h = 0. They also provide rational solutions for a particular discretization of P II , namely the so-called alternate discrete P II , and this connection leads to an expression in terms of the Umemura polynomials for the third Painleve equation (P III ). It is shown that the Baecklund transformation for the alternate discrete Painleve equation is a symplectic map, and the shift in time is also symplectic. Finally we present a Lax pair for the alternate discrete P II , which recovers Jimbo and Miwa's Lax pair for P II in the continuum limit h → 0

  19. Constitutive equations for discrete electromagnetic problems over polyhedral grids

    Codecasa, Lorenzo; Trevisan, Francesco

    2007-01-01

    In this paper a novel approach is proposed for constructing discrete counterparts of constitutive equations over polyhedral grids which ensure both consistency and stability of the algebraic equations discretizing an electromagnetic field problem. The idea is to construct discrete constitutive equations preserving the thermodynamic relations for constitutive equations. In this way, consistency and stability of the discrete equations are ensured. At the base, a purely geometric condition between the primal and the dual grids has to be satisfied for a given primal polyhedral grid, by properly choosing the dual grid. Numerical experiments demonstrate that the proposed discrete constitutive equations lead to accurate approximations of the electromagnetic field

  20. From the continuous PV to discrete Painleve equations

    Tokihiro, T.; Grammaticos, B.; Ramani, A.

    2002-01-01

    We study the discrete transformations that are associated with the auto-Baecklund of the (continuous) P V equation. We show that several two-parameter discrete Painleve equations can be obtained as contiguity relations of P V . Among them we find the asymmetric d-P II equation which is a well-known form of discrete P III . The relation between the ternary P I (previously obtained through the discrete dressing approach) and P V is also established. A new discrete Painleve equation is also derived. (author)

  1. Selection and Storage of Perceptual Groups Is Constrained by a Discrete Resource in Working Memory

    Anderson, David E.; Vogel, Edward K.; Awh, Edward

    2012-01-01

    Perceptual grouping can lead observers to perceive a multielement scene as a smaller number of hierarchical units. Past work has shown that grouping enables more elements to be stored in visual working memory (WM). Although this may appear to contradict so-called discrete resource models that argue for fixed item limits in WM storage, it is also possible that grouping reduces the effective number of “items” in the display. To test this hypothesis, we examined how mnemonic resolution declined ...

  2. Exact discretization of Schrödinger equation

    Tarasov, Vasily E., E-mail: tarasov@theory.sinp.msu.ru

    2016-01-08

    There are different approaches to discretization of the Schrödinger equation with some approximations. In this paper we derive a discrete equation that can be considered as exact discretization of the continuous Schrödinger equation. The proposed discrete equation is an equation with difference of integer order that is represented by infinite series. We suggest differences, which are characterized by power-law Fourier transforms. These differences can be considered as exact discrete analogs of derivatives of integer orders. Physically the suggested discrete equation describes a chain (or lattice) model with long-range interaction of power-law form. Mathematically it is a uniquely highlighted difference equation that exactly corresponds to the continuous Schrödinger equation. Using the Young's inequality for convolution, we prove that suggested differences are operators on the Hilbert space of square-summable sequences. We prove that the wave functions, which are exact discrete analogs of the free particle and harmonic oscillator solutions of the continuous Schrödinger equations, are solutions of the suggested discrete Schrödinger equations. - Highlights: • Exact discretization of the continuous Schrödinger equation is suggested. • New long-range interactions of power-law form are suggested. • Solutions of discrete Schrödinger equation are exact discrete analogs of continuous solutions.

  3. Exact discretization of Schrödinger equation

    Tarasov, Vasily E.

    2016-01-01

    There are different approaches to discretization of the Schrödinger equation with some approximations. In this paper we derive a discrete equation that can be considered as exact discretization of the continuous Schrödinger equation. The proposed discrete equation is an equation with difference of integer order that is represented by infinite series. We suggest differences, which are characterized by power-law Fourier transforms. These differences can be considered as exact discrete analogs of derivatives of integer orders. Physically the suggested discrete equation describes a chain (or lattice) model with long-range interaction of power-law form. Mathematically it is a uniquely highlighted difference equation that exactly corresponds to the continuous Schrödinger equation. Using the Young's inequality for convolution, we prove that suggested differences are operators on the Hilbert space of square-summable sequences. We prove that the wave functions, which are exact discrete analogs of the free particle and harmonic oscillator solutions of the continuous Schrödinger equations, are solutions of the suggested discrete Schrödinger equations. - Highlights: • Exact discretization of the continuous Schrödinger equation is suggested. • New long-range interactions of power-law form are suggested. • Solutions of discrete Schrödinger equation are exact discrete analogs of continuous solutions.

  4. Discrete non-parametric kernel estimation for global sensitivity analysis

    Senga Kiessé, Tristan; Ventura, Anne

    2016-01-01

    This work investigates the discrete kernel approach for evaluating the contribution of the variance of discrete input variables to the variance of model output, via analysis of variance (ANOVA) decomposition. Until recently only the continuous kernel approach has been applied as a metamodeling approach within sensitivity analysis framework, for both discrete and continuous input variables. Now the discrete kernel estimation is known to be suitable for smoothing discrete functions. We present a discrete non-parametric kernel estimator of ANOVA decomposition of a given model. An estimator of sensitivity indices is also presented with its asymtotic convergence rate. Some simulations on a test function analysis and a real case study from agricultural have shown that the discrete kernel approach outperforms the continuous kernel one for evaluating the contribution of moderate or most influential discrete parameters to the model output. - Highlights: • We study a discrete kernel estimation for sensitivity analysis of a model. • A discrete kernel estimator of ANOVA decomposition of the model is presented. • Sensitivity indices are calculated for discrete input parameters. • An estimator of sensitivity indices is also presented with its convergence rate. • An application is realized for improving the reliability of environmental models.

  5. Discrete ellipsoidal statistical BGK model and Burnett equations

    Zhang, Yu-Dong; Xu, Ai-Guo; Zhang, Guang-Cai; Chen, Zhi-Hua; Wang, Pei

    2018-06-01

    A new discrete Boltzmann model, the discrete ellipsoidal statistical Bhatnagar-Gross-Krook (ESBGK) model, is proposed to simulate nonequilibrium compressible flows. Compared with the original discrete BGK model, the discrete ES-BGK has a flexible Prandtl number. For the discrete ES-BGK model in the Burnett level, two kinds of discrete velocity model are introduced and the relations between nonequilibrium quantities and the viscous stress and heat flux in the Burnett level are established. The model is verified via four benchmark tests. In addition, a new idea is introduced to recover the actual distribution function through the macroscopic quantities and their space derivatives. The recovery scheme works not only for discrete Boltzmann simulation but also for hydrodynamic ones, for example, those based on the Navier-Stokes or the Burnett equations.

  6. Difference Discrete Variational Principles, Euler-Lagrange Cohomology and Symplectic, Multisymplectic Structures I: Difference Discrete Variational Principle

    GUO Han-Ying,; LI Yu-Qi; WU Ke1; WANG Shi-Kun

    2002-01-01

    In this first paper of a series, we study the difference discrete variational principle in the framework of multi-parameter differential approach by regarding the forward difference as an entire geometric object in view of noncommutative differential geometry. Regarding the difference as an entire geometric object, the difference discrete version of Legendre transformation can be introduced. By virtue of this variational principle, we can discretely deal with the variation problems in both the Lagrangian and Hamiltonian formalisms to get difference discrete Euler-Lagrange equations and canonical ones for the difference discrete versions of the classical mechanics and classical field theory.

  7. Valuing the Leadership Role of University Unit Coordinators

    Pepper, Coral; Roberts, Susan

    2016-01-01

    In this paper we describe the experiences of 64 unit coordinators across 15 Australian universities, gathered during 2011/2012 as part of an Office for Learning and Teaching (OLT) project. Our intention was to gain insight into how unit coordinators (academics who coordinate a discrete unit of study) perceive their role as leaders of learning in…

  8. Nonperturbative summation over 3D discrete topologies

    Freidel, Laurent; Louapre, David

    2003-01-01

    The group field theories realizing the sum over all triangulations of all topologies of 3D discrete gravity amplitudes are known to be nonuniquely Borel summable. We modify these models to construct a new group field theory which is proved to be uniquely Borel summable, defining in an unambiguous way a nonperturbative sum over topologies in the context of 3D dynamical triangulations and spin foam models. Moreover, we give some arguments to support the fact that, despite our modification, this new model is similar to the original one, and therefore could be taken as a definition of the sum over topologies of 3D quantum gravity amplitudes

  9. Discrete expansions of continuum functions. General concepts

    Bang, J.; Ershov, S.N.; Gareev, F.A.; Kazacha, G.S.

    1979-01-01

    Different discrete expansions of the continuum wave functions are considered: pole expansion (according to the Mittag-Lefler theorem), Weinberg states. The general property of these groups of states is their completeness in the finite region of space. They satisfy the Schroedinger type equations and are matched with free solutions of the Schroedinger equation at the boundary. Convergence of expansions for the S matrix, the Green functions and the continuous-spectrum wave functions is studied. A new group of states possessing the best convergence is introduced

  10. A short course in discrete mathematics

    Bender, Edward A

    2004-01-01

    What sort of mathematics do I need for computer science? In response to this frequently asked question, a pair of professors at the University of California at San Diego created this text. Its sources are two of the university's most basic courses: Discrete Mathematics, and Mathematics for Algorithm and System Analysis. Intended for use by sophomores in the first of a two-quarter sequence, the text assumes some familiarity with calculus. Topics include Boolean functions and computer arithmetic; logic; number theory and cryptography; sets and functions; equivalence and order; and induction, seq

  11. Compartmentalization analysis using discrete fracture network models

    La Pointe, P.R.; Eiben, T.; Dershowitz, W. [Golder Associates, Redmond, VA (United States); Wadleigh, E. [Marathon Oil Co., Midland, TX (United States)

    1997-08-01

    This paper illustrates how Discrete Fracture Network (DFN) technology can serve as a basis for the calculation of reservoir engineering parameters for the development of fractured reservoirs. It describes the development of quantitative techniques for defining the geometry and volume of structurally controlled compartments. These techniques are based on a combination of stochastic geometry, computational geometry, and graph the theory. The parameters addressed are compartment size, matrix block size and tributary drainage volume. The concept of DFN models is explained and methodologies to compute these parameters are demonstrated.

  12. Discrete variable representation for singular Hamiltonians

    Schneider, B. I.; Nygaard, Nicolai

    2004-01-01

    We discuss the application of the discrete variable representation (DVR) to Schrodinger problems which involve singular Hamiltonians. Unlike recent authors who invoke transformations to rid the eigenvalue equation of singularities at the cost of added complexity, we show that an approach based...... solely on an orthogonal polynomial basis is adequate, provided the Gauss-Lobatto or Gauss-Radau quadrature rule is used. This ensures that the mesh contains the singular points and by simply discarding the DVR functions corresponding to those points, all matrix elements become well behaved. the boundary...

  13. A discrete transition to advanced mathematics

    Richmond, Bettina

    2009-01-01

    As the title indicates, this book is intended for courses aimed at bridging the gap between lower-level mathematics and advanced mathematics. The text provides a careful introduction to techniques for writing proofs and a logical development of topics based on intuitive understanding of concepts. The authors utilize a clear writing style and a wealth of examples to develop an understanding of discrete mathematics and critical thinking skills. While including many traditional topics, the text offers innovative material throughout. Surprising results are used to motivate the reader. The last thr

  14. Construction of Discrete Time Shadow Price

    Rogala, Tomasz; Stettner, Lukasz

    2015-01-01

    In the paper expected utility from consumption over finite time horizon for discrete time markets with bid and ask prices and strictly concave utility function is considered. The notion of weak shadow price, i.e. an illiquid price, depending on the portfolio, under which the model without bid and ask price is equivalent to the model with bid and ask price is introduced. Existence and the form of weak shadow price is shown. Using weak shadow price usual (called in the paper strong) shadow price is then constructed

  15. Rules Versus Discretion in Monetary Policy

    Stanley Fischer

    1988-01-01

    This paper examines the case for rules rather than discretion in the conduct of monetary policy, from both historical and analytic perspectives. The paper starts with the rules of the game under the gold standard. These rules were ill-defined and not adhered to; active discretionary policy was pursued to defend the gold standard -- but the gold standard came closer to a regime of rules than the current system. The arguments for rules in general developed by Milton Friedman are described mo ap...

  16. Newnes passive and discrete circuits pocket book

    MARSTON, R M

    2000-01-01

    Newnes Passive and Discrete Circuits Pocket Book is aimed at all engineers, technicians, students and experimenters who can build a design directly from a circuit diagram. In a highly concise form Ray Marston presents a huge compendium of circuits that can be built as they appear, adapted or used as building blocks. The devices used have been carefully chosen for their ease of availability and reasonable price. The selection of devices has been thoroughly updated for the second edition, which has also been expanded to cover the latest ICs.The three sections of the book cover: Moder

  17. Discrete analysis of clay layer tensile strength

    Le, T.N.H.; Ple, O.; Villard, P.; Gourc, J.P.

    2010-01-01

    The Discrete Element Method is used to investigate the tensile behaviour and cracks mechanisms of a clay material submitted to bending loading. It is the case of compacted clay liners in landfill cap cover application. Such as the soil tested in this study is plastic clay, the distinct elements model was calibrated with previous data results by taking into account cohesive properties. Various contact and cohesion laws are tested to show that the numerical model is able to reproduce the failure mechanism. Numerical results are extending to simulate a landfill cap cover and comparing to experimental large scale field bending tests achieved in a real site of storage. (authors)

  18. Discrete time modelization of human pilot behavior

    Cavalli, D.; Soulatges, D.

    1975-01-01

    This modelization starts from the following hypotheses: pilot's behavior is a time discrete process, he can perform only one task at a time and his operating mode depends on the considered flight subphase. Pilot's behavior was observed using an electro oculometer and a simulator cockpit. A FORTRAN program has been elaborated using two strategies. The first one is a Markovian process in which the successive instrument readings are governed by a matrix of conditional probabilities. In the second one, strategy is an heuristic process and the concepts of mental load and performance are described. The results of the two aspects have been compared with simulation data.

  19. An Einstein equation for discrete quantum gravity

    Gudder, Stan

    2012-01-01

    The basic framework for this article is the causal set approach to discrete quantum gravity (DQG). Let $Q_n$ be the collection of causal sets with cardinality not greater than $n$ and let $K_n$ be the standard Hilbert space of complex-valued functions on $Q_n$. The formalism of DQG presents us with a decoherence matrix $D_n(x,y)$, $x,y\\in Q_n$. There is a growth order in $Q_n$ and a path in $Q_n$ is a maximal chain relative to this order. We denote the set of paths in $Q_n$ by $\\Omega_n$. For...

  20. Discrete Symmetries and Models of Flavour Mixing

    King, Stephen F

    2015-01-01

    In this talk we shall give an overview of the role of discrete symmetries, including both CP and family symmetry, in constructing unified models of quark and lepton (including especially neutrino) masses and mixing. Various different approaches to model building will be described, denoted as direct, semi-direct and indirect, and the pros and cons of each approach discussed. Particular examples based on Δ(6n 2 ) will be discussed and an A to Z of Flavour with Pati-Salam will be presented. (paper)

  1. Generalized reciprocity principle for discrete symplectic systems

    Julia Elyseeva

    2015-12-01

    Full Text Available This paper studies transformations for conjoined bases of symplectic difference systems $Y_{i+1}=\\mathcal S_{i}Y_{i}$ with the symplectic coefficient matrices $\\mathcal S_i.$ For an arbitrary symplectic transformation matrix $P_{i}$ we formulate most general sufficient conditions for $\\mathcal S_{i},\\, P_{i}$ which guarantee that $P_{i}$ preserves oscillatory properties of conjoined bases $Y_{i}.$ We present examples which show that our new results extend the applicability of the discrete transformation theory.

  2. Dissolved inorganic carbon, total alkalinity, pH, and other variables collected from surface discrete observations using spectrophotometer and other instruments from NOAA Ship Henry B. Bigelow off the Northeastern coast of the United States from 2014-09-10 to 2014-11-05 (NCEI Accession 0138983)

    National Oceanic and Atmospheric Administration, Department of Commerce — This archival package contains surface measurements of dissolved inorganic, total alkalinity, pH measurements off the Northeastern coast of the United States....

  3. Dissolved inorganic carbon, total alkalinity, pH, and other variables collected from profile and discrete observations using CTD, Niskin bottle, and other instruments from NOAA Ship Okeanos Explorer, off the east coast of Florida, United States from 2014-05-10 to 2014-05-17 (NCEI Accession 0131424)

    National Oceanic and Atmospheric Administration, Department of Commerce — This archival package contains carbon and nutrient related data that were collected from CTD profile measurements off the east coast of Florida, United States...

  4. Dissolved inorganic carbon, total alkalinity, pH, and other variables collected from profile and discrete sample observations using CTD, Niskin bottle, and other instruments from R/V Delware II in the Northeast coast of the United States from 2012-02-06 to 2012-02-19 (NCEI Accession 0131423)

    National Oceanic and Atmospheric Administration, Department of Commerce — This archival package contains carbon and nutrient related data that were collected from CTD profile measurements in the Northeast coast of the United States...

  5. Discrete Pathophysiology is Uncommon in Patients with Nonspecific Arm Pain.

    Kortlever, Joost T P; Janssen, Stein J; Molleman, Jeroen; Hageman, Michiel G J S; Ring, David

    2016-06-01

    Nonspecific symptoms are common in all areas of medicine. Patients and caregivers can be frustrated when an illness cannot be reduced to a discrete pathophysiological process that corresponds with the symptoms. We therefore asked the following questions: 1) Which demographic factors and psychological comorbidities are associated with change from an initial diagnosis of nonspecific arm pain to eventual identification of discrete pathophysiology that corresponds with symptoms? 2) What is the percentage of patients eventually diagnosed with discrete pathophysiology, what are those pathologies, and do they account for the symptoms? We evaluated 634 patients with an isolated diagnosis of nonspecific upper extremity pain to see if discrete pathophysiology was diagnosed on subsequent visits to the same hand surgeon, a different hand surgeon, or any physician within our health system for the same pain. There were too few patients with discrete pathophysiology at follow-up to address the primary study question. Definite discrete pathophysiology that corresponded with the symptoms was identified in subsequent evaluations by the index surgeon in one patient (0.16% of all patients) and cured with surgery (nodular fasciitis). Subsequent doctors identified possible discrete pathophysiology in one patient and speculative pathophysiology in four patients and the index surgeon identified possible discrete pathophysiology in four patients, but the five discrete diagnoses accounted for only a fraction of the symptoms. Nonspecific diagnoses are not harmful. Prospective randomized research is merited to determine if nonspecific, descriptive diagnoses are better for patients than specific diagnoses that imply pathophysiology in the absence of discrete verifiable pathophysiology.

  6. A Discrete Model for Color Naming

    J. M. Boi

    2007-01-01

    Full Text Available The ability to associate labels to colors is very natural for human beings. Though, this apparently simple task hides very complex and still unsolved problems, spreading over many different disciplines ranging from neurophysiology to psychology and imaging. In this paper, we propose a discrete model for computational color categorization and naming. Starting from the 424 color specimens of the OSA-UCS set, we propose a fuzzy partitioning of the color space. Each of the 11 basic color categories identified by Berlin and Kay is modeled as a fuzzy set whose membership function is implicitly defined by fitting the model to the results of an ad hoc psychophysical experiment (Experiment 1. Each OSA-UCS sample is represented by a feature vector whose components are the memberships to the different categories. The discrete model consists of a three-dimensional Delaunay triangulation of the CIELAB color space which associates each OSA-UCS sample to a vertex of a 3D tetrahedron. Linear interpolation is used to estimate the membership values of any other point in the color space. Model validation is performed both directly, through the comparison of the predicted membership values to the subjective counterparts, as evaluated via another psychophysical test (Experiment 2, and indirectly, through the investigation of its exploitability for image segmentation. The model has proved to be successful in both cases, providing an estimation of the membership values in good agreement with the subjective measures as well as a semantically meaningful color-based segmentation map.

  7. A Discrete Model for Color Naming

    Menegaz, G.; Le Troter, A.; Sequeira, J.; Boi, J. M.

    2006-12-01

    The ability to associate labels to colors is very natural for human beings. Though, this apparently simple task hides very complex and still unsolved problems, spreading over many different disciplines ranging from neurophysiology to psychology and imaging. In this paper, we propose a discrete model for computational color categorization and naming. Starting from the 424 color specimens of the OSA-UCS set, we propose a fuzzy partitioning of the color space. Each of the 11 basic color categories identified by Berlin and Kay is modeled as a fuzzy set whose membership function is implicitly defined by fitting the model to the results of an ad hoc psychophysical experiment (Experiment 1). Each OSA-UCS sample is represented by a feature vector whose components are the memberships to the different categories. The discrete model consists of a three-dimensional Delaunay triangulation of the CIELAB color space which associates each OSA-UCS sample to a vertex of a 3D tetrahedron. Linear interpolation is used to estimate the membership values of any other point in the color space. Model validation is performed both directly, through the comparison of the predicted membership values to the subjective counterparts, as evaluated via another psychophysical test (Experiment 2), and indirectly, through the investigation of its exploitability for image segmentation. The model has proved to be successful in both cases, providing an estimation of the membership values in good agreement with the subjective measures as well as a semantically meaningful color-based segmentation map.

  8. Discrete quantum spectrum of black holes

    Lochan, Kinjalk, E-mail: kinjalk@iucaa.in; Chakraborty, Sumanta, E-mail: sumanta@iucaa.in

    2016-04-10

    The quantum genesis of Hawking radiation is a long-standing puzzle in black hole physics. Semi-classically one can argue that the spectrum of radiation emitted by a black hole look very much sparse unlike what is expected from a thermal object. It was demonstrated through a simple quantum model that a quantum black hole will retain a discrete profile, at least in the weak energy regime. However, it was suggested that this discreteness might be an artifact of the simplicity of eigen-spectrum of the model considered. Different quantum theories can, in principle, give rise to different complicated spectra and make the radiation from black hole dense enough in transition lines, to make them look continuous in profile. We show that such a hope from a geometry-quantized black hole is not realized as long as large enough black holes are dubbed with a classical mass area relation in any gravity theory ranging from GR, Lanczos–Lovelock to f(R) gravity. We show that the smallest frequency of emission from black hole in any quantum description, is bounded from below, to be of the order of its inverse mass. That leaves the emission with only two possibilities. It can either be non-thermal, or it can be thermal only with the temperature being much larger than 1/M.

  9. Emotional Aging: A Discrete Emotions Perspective

    Ute eKunzmann

    2014-05-01

    Full Text Available Perhaps the most important single finding in the field of emotional aging has been that the overall quality of affective experience steadily improves during adulthood and can be maintained into old age. Recent lifespan developmental theories have provided motivation- and experience-based explanations for this phenomenon. These theories suggest that, as individuals grow older, they become increasingly motivated and able to regulate their emotions, which could result in reduced negativity and enhanced positivity. The objective of this paper is to expand existing theories and empirical research on emotional aging by presenting a discrete emotions perspective. To illustrate the usefulness of this approach, we focus on a discussion of the literature examining age differences in anger and sadness. These two negative emotions have been subsumed under the singular concept of negative affect. From a discrete emotions perspective, however, they are highly distinct. Sadness is elicited by an irreversible loss and associated with low situational control, high goal adjustment tendencies, and the motivation to search for social support. The experience of anger, by contrast, is typically triggered by other individuals who intentio

  10. Emotional aging: a discrete emotions perspective.

    Kunzmann, Ute; Kappes, Cathleen; Wrosch, Carsten

    2014-01-01

    Perhaps the most important single finding in the field of emotional aging has been that the overall quality of affective experience steadily improves during adulthood and can be maintained into old age. Recent lifespan developmental theories have provided motivation- and experience-based explanations for this phenomenon. These theories suggest that, as individuals grow older, they become increasingly motivated and able to regulate their emotions, which could result in reduced negativity and enhanced positivity. The objective of this paper is to expand existing theories and empirical research on emotional aging by presenting a discrete emotions perspective. To illustrate the usefulness of this approach, we focus on a discussion of the literature examining age differences in anger and sadness. These two negative emotions have typically been subsumed under the singular concept of negative affect. From a discrete emotions perspective, however, they are highly distinct and show multidirectional age differences. We propose that such contrasting age differences in specific negative emotions have important implications for our understanding of long-term patterns of affective well-being across the adult lifespan.

  11. Discretization analysis of bifurcation based nonlinear amplifiers

    Feldkord, Sven; Reit, Marco; Mathis, Wolfgang

    2017-09-01

    Recently, for modeling biological amplification processes, nonlinear amplifiers based on the supercritical Andronov-Hopf bifurcation have been widely analyzed analytically. For technical realizations, digital systems have become the most relevant systems in signal processing applications. The underlying continuous-time systems are transferred to the discrete-time domain using numerical integration methods. Within this contribution, effects on the qualitative behavior of the Andronov-Hopf bifurcation based systems concerning numerical integration methods are analyzed. It is shown exemplarily that explicit Runge-Kutta methods transform the truncated normalform equation of the Andronov-Hopf bifurcation into the normalform equation of the Neimark-Sacker bifurcation. Dependent on the order of the integration method, higher order terms are added during this transformation.A rescaled normalform equation of the Neimark-Sacker bifurcation is introduced that allows a parametric design of a discrete-time system which corresponds to the rescaled Andronov-Hopf system. This system approximates the characteristics of the rescaled Hopf-type amplifier for a large range of parameters. The natural frequency and the peak amplitude are preserved for every set of parameters. The Neimark-Sacker bifurcation based systems avoid large computational effort that would be caused by applying higher order integration methods to the continuous-time normalform equations.

  12. Discussion of discrete D shape toroidal coil

    Kaiho, Katsuyuki; Ohara, Takeshi; Agatsuma, Ko; Onishi, Toshitada

    1988-01-01

    A novel design for a toroidal coil, called the D shape coil, was reported by J. File. The coil conductors are in pure tension and then subject to no bending moment. This leads to a smaller number of emf supports in a simpler configuration than that with the conventional toroidal coil of circular cross-section. The contours of the D shape are given as solutions of a differential equation. This equation includes the function of the magnetic field distribution in the conductor region which is inversely proportional to the winding radius. It is therefore important to use the exact magnetic field distribution. However the magnetic field distribution becomes complicated when the D shape toroidal coil is comprised of discrete coils and also depends on the D shape configuration. A theory and a computer program for designing the practical pure-tension toroidal coil are developed. Using this computer code, D shape conductors are calculated for various numbers of discrete coils and the results are compared. Electromagnetic forces in the coils are also calculated. It is shown that the hoop stress in the conductors depends only on the total ampere-turns of the coil when the contours of the D shape are similar. (author)

  13. Discrete hierarchical organization of social group sizes.

    Zhou, W-X; Sornette, D; Hill, R A; Dunbar, R I M

    2005-02-22

    The 'social brain hypothesis' for the evolution of large brains in primates has led to evidence for the coevolution of neocortical size and social group sizes, suggesting that there is a cognitive constraint on group size that depends, in some way, on the volume of neural material available for processing and synthesizing information on social relationships. More recently, work on both human and non-human primates has suggested that social groups are often hierarchically structured. We combine data on human grouping patterns in a comprehensive and systematic study. Using fractal analysis, we identify, with high statistical confidence, a discrete hierarchy of group sizes with a preferred scaling ratio close to three: rather than a single or a continuous spectrum of group sizes, humans spontaneously form groups of preferred sizes organized in a geometrical series approximating 3-5, 9-15, 30-45, etc. Such discrete scale invariance could be related to that identified in signatures of herding behaviour in financial markets and might reflect a hierarchical processing of social nearness by human brains.

  14. Correlations and discreteness in nonlinear QCD evolution

    Armesto, N.; Milhano, J.

    2006-01-01

    We consider modifications of the standard nonlinear QCD evolution in an attempt to account for some of the missing ingredients discussed recently, such as correlations, discreteness in gluon emission and Pomeron loops. The evolution is numerically performed using the Balitsky-Kovchegov equation on individual configurations defined by a given initial value of the saturation scale, for reduced rapidities y=(α s N c /π)Y<10. We consider the effects of averaging over configurations as a way to implement correlations, using three types of Gaussian averaging around a mean saturation scale. Further, we heuristically mimic discreteness in gluon emission by considering a modified evolution in which the tails of the gluon distributions are cut off. The approach to scaling and the behavior of the saturation scale with rapidity in these modified evolutions are studied and compared with the standard mean-field results. For the large but finite values of rapidity explored, no strong quantitative difference in scaling for transverse momenta around the saturation scale is observed. At larger transverse momenta, the influence of the modifications in the evolution seems most noticeable in the first steps of the evolution. No influence on the rapidity behavior of the saturation scale due to the averaging procedure is found. In the cutoff evolution the rapidity evolution of the saturation scale is slowed down and strongly depends on the value of the cutoff. Our results stress the need to go beyond simple modifications of evolution by developing proper theoretical tools that implement such recently discussed ingredients

  15. Discrete bacteria foraging optimization algorithm for graph based problems - a transition from continuous to discrete

    Sur, Chiranjib; Shukla, Anupam

    2018-03-01

    Bacteria Foraging Optimisation Algorithm is a collective behaviour-based meta-heuristics searching depending on the social influence of the bacteria co-agents in the search space of the problem. The algorithm faces tremendous hindrance in terms of its application for discrete problems and graph-based problems due to biased mathematical modelling and dynamic structure of the algorithm. This had been the key factor to revive and introduce the discrete form called Discrete Bacteria Foraging Optimisation (DBFO) Algorithm for discrete problems which exceeds the number of continuous domain problems represented by mathematical and numerical equations in real life. In this work, we have mainly simulated a graph-based road multi-objective optimisation problem and have discussed the prospect of its utilisation in other similar optimisation problems and graph-based problems. The various solution representations that can be handled by this DBFO has also been discussed. The implications and dynamics of the various parameters used in the DBFO are illustrated from the point view of the problems and has been a combination of both exploration and exploitation. The result of DBFO has been compared with Ant Colony Optimisation and Intelligent Water Drops Algorithms. Important features of DBFO are that the bacteria agents do not depend on the local heuristic information but estimates new exploration schemes depending upon the previous experience and covered path analysis. This makes the algorithm better in combination generation for graph-based problems and combination generation for NP hard problems.

  16. First-principles modeling of electromagnetic scattering by discrete and discretely heterogeneous random media

    Mishchenko, Michael I.; Dlugach, Janna M.; Yurkin, Maxim A.; Bi, Lei; Cairns, Brian; Liu, Li; Panetta, R. Lee; Travis, Larry D.; Yang, Ping; Zakharova, Nadezhda T.

    2016-01-01

    A discrete random medium is an object in the form of a finite volume of a vacuum or a homogeneous material medium filled with quasi-randomly and quasi-uniformly distributed discrete macroscopic impurities called small particles. Such objects are ubiquitous in natural and artificial environments. They are often characterized by analyzing theoretically the results of laboratory, in situ, or remote-sensing measurements of the scattering of light and other electromagnetic radiation. Electromagnetic scattering and absorption by particles can also affect the energy budget of a discrete random medium and hence various ambient physical and chemical processes. In either case electromagnetic scattering must be modeled in terms of appropriate optical observables, i.e., quadratic or bilinear forms in the field that quantify the reading of a relevant optical instrument or the electromagnetic energy budget. It is generally believed that time-harmonic Maxwell’s equations can accurately describe elastic electromagnetic scattering by macroscopic particulate media that change in time much more slowly than the incident electromagnetic field. However, direct solutions of these equations for discrete random media had been impracticable until quite recently. This has led to a widespread use of various phenomenological approaches in situations when their very applicability can be questioned. Recently, however, a new branch of physical optics has emerged wherein electromagnetic scattering by discrete and discretely heterogeneous random media is modeled directly by using analytical or numerically exact computer solutions of the Maxwell equations. Therefore, the main objective of this Report is to formulate the general theoretical framework of electromagnetic scattering by discrete random media rooted in the Maxwell–Lorentz electromagnetics and discuss its immediate analytical and numerical consequences. Starting from the microscopic Maxwell–Lorentz equations, we trace the development

  17. First-principles modeling of electromagnetic scattering by discrete and discretely heterogeneous random media

    Mishchenko, Michael I.; Dlugach, Janna M.; Yurkin, Maxim A.; Bi, Lei; Cairns, Brian; Liu, Li; Panetta, R. Lee; Travis, Larry D.; Yang, Ping; Zakharova, Nadezhda T.

    2018-01-01

    A discrete random medium is an object in the form of a finite volume of a vacuum or a homogeneous material medium filled with quasi-randomly and quasi-uniformly distributed discrete macroscopic impurities called small particles. Such objects are ubiquitous in natural and artificial environments. They are often characterized by analyzing theoretically the results of laboratory, in situ, or remote-sensing measurements of the scattering of light and other electromagnetic radiation. Electromagnetic scattering and absorption by particles can also affect the energy budget of a discrete random medium and hence various ambient physical and chemical processes. In either case electromagnetic scattering must be modeled in terms of appropriate optical observables, i.e., quadratic or bilinear forms in the field that quantify the reading of a relevant optical instrument or the electromagnetic energy budget. It is generally believed that time-harmonic Maxwell’s equations can accurately describe elastic electromagnetic scattering by macroscopic particulate media that change in time much more slowly than the incident electromagnetic field. However, direct solutions of these equations for discrete random media had been impracticable until quite recently. This has led to a widespread use of various phenomenological approaches in situations when their very applicability can be questioned. Recently, however, a new branch of physical optics has emerged wherein electromagnetic scattering by discrete and discretely heterogeneous random media is modeled directly by using analytical or numerically exact computer solutions of the Maxwell equations. Therefore, the main objective of this Report is to formulate the general theoretical framework of electromagnetic scattering by discrete random media rooted in the Maxwell–Lorentz electromagnetics and discuss its immediate analytical and numerical consequences. Starting from the microscopic Maxwell–Lorentz equations, we trace the development

  18. First-principles modeling of electromagnetic scattering by discrete and discretely heterogeneous random media

    Mishchenko, Michael I., E-mail: michael.i.mishchenko@nasa.gov [NASA Goddard Institute for Space Studies, 2880 Broadway, New York, NY 10025 (United States); Dlugach, Janna M. [Main Astronomical Observatory of the National Academy of Sciences of Ukraine, 27 Zabolotny Str., 03680, Kyiv (Ukraine); Yurkin, Maxim A. [Voevodsky Institute of Chemical Kinetics and Combustion, SB RAS, Institutskaya str. 3, 630090 Novosibirsk (Russian Federation); Novosibirsk State University, Pirogova 2, 630090 Novosibirsk (Russian Federation); Bi, Lei [Department of Atmospheric Sciences, Texas A& M University, College Station, TX 77843 (United States); Cairns, Brian [NASA Goddard Institute for Space Studies, 2880 Broadway, New York, NY 10025 (United States); Liu, Li [NASA Goddard Institute for Space Studies, 2880 Broadway, New York, NY 10025 (United States); Columbia University, 2880 Broadway, New York, NY 10025 (United States); Panetta, R. Lee [Department of Atmospheric Sciences, Texas A& M University, College Station, TX 77843 (United States); Travis, Larry D. [NASA Goddard Institute for Space Studies, 2880 Broadway, New York, NY 10025 (United States); Yang, Ping [Department of Atmospheric Sciences, Texas A& M University, College Station, TX 77843 (United States); Zakharova, Nadezhda T. [Trinnovim LLC, 2880 Broadway, New York, NY 10025 (United States)

    2016-05-16

    A discrete random medium is an object in the form of a finite volume of a vacuum or a homogeneous material medium filled with quasi-randomly and quasi-uniformly distributed discrete macroscopic impurities called small particles. Such objects are ubiquitous in natural and artificial environments. They are often characterized by analyzing theoretically the results of laboratory, in situ, or remote-sensing measurements of the scattering of light and other electromagnetic radiation. Electromagnetic scattering and absorption by particles can also affect the energy budget of a discrete random medium and hence various ambient physical and chemical processes. In either case electromagnetic scattering must be modeled in terms of appropriate optical observables, i.e., quadratic or bilinear forms in the field that quantify the reading of a relevant optical instrument or the electromagnetic energy budget. It is generally believed that time-harmonic Maxwell’s equations can accurately describe elastic electromagnetic scattering by macroscopic particulate media that change in time much more slowly than the incident electromagnetic field. However, direct solutions of these equations for discrete random media had been impracticable until quite recently. This has led to a widespread use of various phenomenological approaches in situations when their very applicability can be questioned. Recently, however, a new branch of physical optics has emerged wherein electromagnetic scattering by discrete and discretely heterogeneous random media is modeled directly by using analytical or numerically exact computer solutions of the Maxwell equations. Therefore, the main objective of this Report is to formulate the general theoretical framework of electromagnetic scattering by discrete random media rooted in the Maxwell–Lorentz electromagnetics and discuss its immediate analytical and numerical consequences. Starting from the microscopic Maxwell–Lorentz equations, we trace the development

  19. First-Principles Modeling Of Electromagnetic Scattering By Discrete and Discretely Heterogeneous Random Media

    Mishchenko, Michael I.; Dlugach, Janna M.; Yurkin, Maxim A.; Bi, Lei; Cairns, Brian; Liu, Li; Panetta, R. Lee; Travis, Larry D.; Yang, Ping; Zakharova, Nadezhda T.

    2016-01-01

    A discrete random medium is an object in the form of a finite volume of a vacuum or a homogeneous material medium filled with quasi-randomly and quasi-uniformly distributed discrete macroscopic impurities called small particles. Such objects are ubiquitous in natural and artificial environments. They are often characterized by analyzing theoretically the results of laboratory, in situ, or remote-sensing measurements of the scattering of light and other electromagnetic radiation. Electromagnetic scattering and absorption by particles can also affect the energy budget of a discrete random medium and hence various ambient physical and chemical processes. In either case electromagnetic scattering must be modeled in terms of appropriate optical observables, i.e., quadratic or bilinear forms in the field that quantify the reading of a relevant optical instrument or the electromagnetic energy budget. It is generally believed that time-harmonic Maxwell's equations can accurately describe elastic electromagnetic scattering by macroscopic particulate media that change in time much more slowly than the incident electromagnetic field. However, direct solutions of these equations for discrete random media had been impracticable until quite recently. This has led to a widespread use of various phenomenological approaches in situations when their very applicability can be questioned. Recently, however, a new branch of physical optics has emerged wherein electromagnetic scattering by discrete and discretely heterogeneous random media is modeled directly by using analytical or numerically exact computer solutions of the Maxwell equations. Therefore, the main objective of this Report is to formulate the general theoretical framework of electromagnetic scattering by discrete random media rooted in the Maxwell- Lorentz electromagnetics and discuss its immediate analytical and numerical consequences. Starting from the microscopic Maxwell-Lorentz equations, we trace the development of

  20. Universal sequence map (USM of arbitrary discrete sequences

    Almeida Jonas S

    2002-02-01

    Full Text Available Abstract Background For over a decade the idea of representing biological sequences in a continuous coordinate space has maintained its appeal but not been fully realized. The basic idea is that any sequence of symbols may define trajectories in the continuous space conserving all its statistical properties. Ideally, such a representation would allow scale independent sequence analysis – without the context of fixed memory length. A simple example would consist on being able to infer the homology between two sequences solely by comparing the coordinates of any two homologous units. Results We have successfully identified such an iterative function for bijective mappingψ of discrete sequences into objects of continuous state space that enable scale-independent sequence analysis. The technique, named Universal Sequence Mapping (USM, is applicable to sequences with an arbitrary length and arbitrary number of unique units and generates a representation where map distance estimates sequence similarity. The novel USM procedure is based on earlier work by these and other authors on the properties of Chaos Game Representation (CGR. The latter enables the representation of 4 unit type sequences (like DNA as an order free Markov Chain transition table. The properties of USM are illustrated with test data and can be verified for other data by using the accompanying web-based tool:http://bioinformatics.musc.edu/~jonas/usm/. Conclusions USM is shown to enable a statistical mechanics approach to sequence analysis. The scale independent representation frees sequence analysis from the need to assume a memory length in the investigation of syntactic rules.