Density-matrix renormalization-group study of low-lying excitations of polyacene within a Pariser-Parr-Pople model

We have carried out symmetrized density-matrix renormalization-group calculations to study the nature of excited states of long polyacene oligomers within a Pariser-Parr-Pople Hamiltonian. We have used the C-2 symmetry, the electron-hole symmetry, and the spin parity of the system in our calculations. We find that there is a crossover in the lowest dipole forbidden two-photon state and the lowest dipole allowed excited state with size of the oligomer. In the long system limit, the two-photon state lies below the lowest dipole allowed excited state. The triplet state lies well below the two-photon state and energetically does not correspond to its description as being made up of two triplets. These results are in agreement with the general trends in linear conjugated polymers. However, unlike in linear polyenes wherein the two-photon state is a localized excitation, we find that in polyacenes, the two-photon excitation is spread out over the system. We have doped the systems with a hole and an electron and have calculated the charge excitation gap. Using the charge gap and the optical gap, we estimate the binding energy of the 1(1)B(-) exciton to be 2.09 eV. We have also studied doubly doped polyacenes and find that the bipolaron in these systems, to be composed of two separated polarons, as indicated by the calculated charge-density profile and charge-charge correlation function. We have studied bond orders in various states in order to get an idea of the excited state geometry of the system. We find that the ground state, the triplet state, the dipole allowed state, and the polaron excitations correspond to lengthening of the rung bonds in the interior of the oligomer while the two-photon excitation corresponds to the rung bond lengths having two maxima in the system.

density matrix renormalization group study of polyacene

We study the nature of excited states of long polyacene oligomers within a Pariser-Parr-Pople (PPP) Hamiltonian using the Symmetrized Density Matrix Renormalization Group (SDMRG) technique. We find a crossover between the two-photon state and the lowest dipole allowed excited state as the system size is increased from tetracene to pentacene. The spin-gap is the smallest gap. We also study the equilibrium geome tries in the ground and excited states from bond orders and bond-bond correlation functions. We find that the Peierls instability in the ground state of polyacene is conditional both from energetics and structure factors computed froth correlation functions.

Nano-size and miscibility gap

Reports on the alloys formed from immiscible atoms when they are contained in a nano-sized system have initiated several research activities in the recent years. Bridging of the miscibility gap at nanoscale is significant as it has the potential to produce novel alloy materials with useful technological applications. Although the literature contains noticeable number of reports on the formation of solid solution between bulk immiscible atoms, several issues related to phase stability and microstructure remain unaddressed. This article discusses some of these issues using examples from the work done by the author's research group on isolated nanoparticles of bulk immiscible binary systems such as Ag-Ni, Ag-Fe and Ag-Co.

The effect of cell size and channel density on neuronal information encoding and energy efficiency

Identifying the determinants of neuronal energy consumption and their relationship to information coding is critical to understanding neuronal function and evolution. Three of the main determinants are cell size, ion channel density, and stimulus statistics. Here we investigate their impact on neuronal energy consumption and information coding by comparing single-compartment spiking neuron models of different sizes with different densities of stochastic voltage-gated Na+ and K+ channels and different statistics of synaptic inputs. The largest compartments have the highest information rates but the lowest energy efficiency for a given voltage-gated ion channel density, and the highest signaling efficiency (bits spike(-1)) for a given firing rate. For a given cell size, our models revealed that the ion channel density that maximizes energy efficiency is lower than that maximizing information rate. Low rates of small synaptic inputs improve energy efficiency but the highest information rates occur with higher rates and larger inputs. These relationships produce a Law of Diminishing Returns that penalizes costly excess information coding capacity, promoting the reduction of cell size, channel density, and input stimuli to the minimum possible, suggesting that the trade-off between energy and information has influenced all aspects of neuronal anatomy and physiology.

Robust dielectric properties of B-site size-disordered hexagonal Ln(2)CuTiO(6) (Ln = Y, Dy, Ho, Er, and Yb)

Hexagonal Ln(2)CuTiO(6) (Ln = Y, Dy, Ho, Er, and Yb) exhibits a rare combination of interesting dielectric properties, in the form of relatively large dielectric constants (epsilon' > 30), low losses, and extremely small temperature and frequency dependencies, over large ranges of temperature and frequency Choudhury et al., Appl. Phys. Lett. 96, 162903 (2010) and Choudhury et al., Phys. Rev. B 82, 134203 (2010)], making these compounds promising as high-k dielectric materials. The authors present a brief review of the existing literature on this interesting class of oxides, complimenting it with spectroscopic data in conjunction with first-principles calculation results, revealing a novel mechanism underlying these robust dielectric properties. These show that the large size differences in Cu2+ and Ti4+ at the B-site, aided by an inherent random distribution of CuO5 and TiO5 polyhedral units, frustrates the ferroelectric instability, inherent to the noncentrosymmetric P6(3) cm space group of this system, and gives rise to the observed relatively large dielectric constant values. Additionally, the phononic contributions to the dielectric constant are dominated primarily by mid-frequency (>100 cm(-1)) polar modes, involving mainly Ti4+ 3d(0) ions. In contrast, the soft polar phonon modes with frequencies typically less than 100 cm(-1), usually responsible for dielectric properties of materials, are found to be associated with non-d(0) Cu2+ ions and to contribute very little, giving rise to the remarkable temperature stability of dielectric properties of these compounds. (C) 2014 American Vacuum Society.

Report of the Study Group on “Ecosystem-Based Management Science and its application to the North Pacific”

EXECUTIVE SUMMARY INTRODUCTION OVERVIEW OF INTERNATIONAL EBM HISTORY References CANADA Overview Activities to date Integrated Management implementation in Canada Objectives, indicators and reference points Assessment approaches Research directions for the future Management directions for the future References JAPAN Overview Conservation and sustainable use of marine living resources Harvest control by TAC system Stock Recovery Plan and effort regulation system Stock enhancement by hatchery-produced juvenile release Conservation and sustainable develop-ment on coastal waters The implementation of ecosystem-based management PEOPLE’S REPUBLIC OF CHINA Overview Current actions Output control Input control Summer fishing ban Enhance ecosystem health REPUBLIC OF KOREA Initiatives and actions of ecosystem-based management in Korea Current ecosystem-based management initiatives in Korea Precautionary TAC-based fishery management Closed fishing season/areas Fish size- and sex-controls Fishing gear design restrictions Marine protected areas (MPA) RUSSIA Existing and anticipated ecosystem-based management initiatives Issues related to the implementation of ecosystem-based management UNITED STATES OF AMERICA Definitions and approaches to ecosystem-based fishery management in the United States Present U.S. legislative mandates relating to ecosystem-based fishery management Target species Bycatch species Threatened or endangered species Habitats Food webs Ecosystems Integration of legislative mandates into an ecosystem approach Scientific issues in implementing ecosystem-based approaches References DISCUSSION AND RECOMMENDATIONS APPENDICES Appendix 10.1 Study group membership and participants Appendix 10.2 Terminology definitions Appendix 10.3 Present state of implementing ecosystem-based fishery management in Alaska: Alaska groundfish fisheries Appendix 10.4 Present state of implementing ecosystem-based fishery management off the West Coast of the United States: Pacific Coast groundfish fisheries Appendix 10.5 Descriptions of multi-species and ecosystem models developed or under development in the U.S. North Pacific region that might be used to predict effects of fishing on ecosystems Appendix 10.6 A potential standard reporting format (developed by Australia, and currently being used by the U.S.A in their contribution to this report) (83 page document)

A short training program improves the accuracy of portion-size estimates in future dietitians

[EN] The objective of this study was to determine whether a short training program, using real foods, would decreased their portion-size estimation errors after training. 90 student volunteers (20.18±0.44 y old) of the University of the Basque Country (Spain) were trained in observational techniques and tested in food-weight estimation during and after a 3-hour training period. The program included 57 commonly consumed foods that represent a variety of forms (125 different shapes). Estimates of food weight were compared with actual weights. Effectiveness of training was determined by examining change in the absolute percentage error for all observers and over all foods over time. Data were analyzed using SPSS vs. 13.0. The portion-size errors decreased after training for most of the foods. Additionally, the accuracy of their estimates clearly varies by food group and forms. Amorphous was the food type estimated least accurately both before and after training. Our findings suggest that future dietitians can be trained to estimate quantities by direct observation across a wide range of foods. However this training may have been too brief for participants to fully assimilate the application.

Size composition of the catches of the pink shrimp Penaeus duorarum notialis in the shrimp fishery of Sierra Leone

Measurements were taken of size distribution of P. d. notialis collected off Sierra Leone over a period of six months from October 1977 to March 1978. From the frequency distribution curves it is observed that the curves for male shrimps show only one or two major modes, which show prominence between 12.5 and 14.1 cm of total length. Females mostly exhibited size groups with three or four different length ranges and occasional occurrence of 1 to 5 modes. These size groups were observed to show continuous changes. No one group could be said to be permanent. The point of entry into the fishery of male shrimps was found to be at an average total length of 10.5 cm, while females did so at 11 cm. Sex ratios in the different samples were usually 1:1 but in one case the males were more numerous by 2:1 and in four other samples females were significantly preponderent. These departures from the 1:1 ratio may have been artificially created by sorting of the catches on board the ships.

NMFS / Interagency Working Group Evaluation of CITES Criteria and Guidelines.

EXECUTIVE SUMMARY: At present, the Convention on International Trade in Endangered Species of Wild Fauna and Flora (CITES) criteria used to assess whether a population qualifies for inclusion in the CITES Appendices relate to (A) size of the population, (B) area of distribution of the population, and (C) declines in the size of the population. Numeric guidelines are provided as indicators of a small population (less than 5,000 individuals), a small subpopulation (less than 500 individuals), a restricted area of distribution for a population (less than 10,000 km2), a restricted area of distribution for a subpopula-tion (less than 500 km2), a high rate of decline (a decrease of 50% or more in total within 5 years or two generations whichever is longer or, for a small wild population, a decline of 20% or more in total within ten years or three generations whichever is longer), large fluctuations (population size or area of distribution varies widely, rapidly and frequently, with a variation greater than one order of magnitude), and a short-term fluctuation (one of two years or less). The Working Group discussed several broad issues of relevance to the CITES criteria and guidelines. These included the importance of the historical extent of decline versus the recent rate of decline; the utility and validity of incorporating relative population productivity into decline criteria; the utility of absolute numbers for defining small populations or small areas; the appropriateness of generation times as time frames for examining declines; the importance of the magnitude and frequency of fluctuations as factors affecting risk of extinction; and the overall utility of numeric thresh-olds or guidelines.

Size related feeding patterns and electivity indices of silver barb (Barbodes gonionotus Bleeker) from a pond, Bangladesh

The feeding patterns with respect to quality and quantity of food of silver barb, Barbodes gonionotus varied with their size and development. The results indicated that the fish in the size group I (7-25 mm TL) were fairly omnivore with particular liking for rotifera, green and blue-green algae while the size group II (25.1-44 mm TL) and III (44.1-55 mm TL) were omnivore with higher tendency of feeding on debris, aquatic plants, green algae, blue-green algae and rotifera. However, the fish of the size group IV (55.1-80 mm TL) were found to be herbivore with feeding preference for aquatic plants, green and blue-green algae. In all the size groups, debris was the most dominant food item. Feeding preference of the fish showed clear ontogenetic shift. The electivity indices revealed that the fish were selective feeder.

Size distribution of heavy mineral grains in some modern Nile Delta coastal sands, Egypt

This study includes determination and discussion of the texture and heavy mineral compositions of some modem Nile Delta coastal sands (river, coastal dune, beach-face, and nearshore marine) in order to delineate the process and factors that regulate the size distribution of heavy mineral grains comprising these coastal sands. Textural analysis of unseparated bulk samples indicate that the examined four types of sands differ in their mean grain sizes and degree of sorting. However, analysis of size distribution curves of 10 heavy mineral species or group of species in the four environments having the same general shape and nearly similar in that general order of arrangement. However, these curves vary both in median sizes and sorting. The size distribution of a heavy mineral in the Nile Delta coastal sands appear to depend on: (1) range of grain size fractions in each sample, (2) relative availability of heavy mineral in each size grade of the sample, (3) specific gravity of minerals comprising these sands, and (4) some other unknown factor or factors. Results of size measurement of heavy minerals indicated that increasing specific gravity is accompanied by increasing fineness of the heavy minerals. This study may be useful in search for marine placers and understanding the processes of grain-sorting on the sea beaches.

Identification of one intron loss and phylogenetic evolution of Dfak gene in the Drosophila melanogaster species group

Intron loss and its evolutionary significance have been noted in Drosophila. The current study provides another example of intron loss within a single-copy Dfak gene in Drosophila. By using polymerase chain reaction (PCR), we amplified about 1.3 kb fragment spanning intron 5-10, located in the position of Tyr kinase (TyK) domain of Dfak gene from Drosophila melanogaster species group, and observed size difference among the amplified DNA fragments from different species. Further sequencing analysis revealed that D. melanogaster and D. simulans deleted an about 60 bp of DNA fragment relative to other 7 Drosophila species, such as D. elegans, D. ficusphila, D. biarmipes, D. takahashii, D. jambulina, D. prostipennis and D. pseudoobscura, and the deleted fragment located precisely in the position of one intron. The data suggested that intron loss might have occurred in the Dfak gene evolutionary process of D. melanogaster and D. simulans of Drosophila melanogaster species group. In addition, the constructed phylogenetic tree based on the Dfak TyK domains clearly revealed the evolutionary relationships between subgroups of Drosophila melanogaster species group, and the intron loss identified from D. melanogaster and D. simulans provides a unique diagnostic tool for taxonomic classification of the melanogaster subgroup from other group of genus Drosophila.

Chemical trends of defect formation in Si quantum dots: The case of group-III and group-V dopants

Using first-principles methods, we have systematically calculated the defect formation energies and transition energy levels of group-III and group-V impurities doped in H passivated Si quantum dots (QDs) as functions of the QD size. The general chemical trends found in the QDs are similar to that found in bulk Si. We show that defect formation energy and transition energy level increase when the size of the QD decreases; thus, doping in small Si QDs becomes more difficult. B-Si has the lowest acceptor transition energy level, and it is more stable near the surface than at the center of the H passivated Si QD. On the other hand, P-Si has the smallest donor ionization energy, and it prefers to stay at the interior of the H passivated Si QD. We explained the general chemical trends and the dependence on the QD size in terms of the atomic chemical potentials and quantum confinement effects.

SOI optical switch matrix integrated with spot size converter (SSC) and total internal reflection (TIR) mirrors

SOI (Silicon on Insulator) based photonic devices has attracted more and more attention in the recent years. Integration of SOI optical switch matrix with isolating grooves, total internal reflection (TIR) mirrors and spot size converter (SSC) was studied. A folding re-arrangeable non-blocking 4x4 optical switch matrix and a blocking 16x16 matrix with TIR mirrors and SSC were fabricated on SOI wafer. The performaces, including extinction ratio and the crosstalk, are better than before. The insertion loss and the polarization dependent loss (PDL) at 1.55 mu m increase slightly with longer device length, more bend and intersecting waveguides. The insertion losses decrease 2 similar to 3 dB when anti-reflection films are added in the ends of the devices. The rise and fall times of the devices are 2.1 mu s and 2.3 mu s, respectively.

SOI-based thermo-optic waveguide switch matrix with spot size converters

A SOI-based thermo-optic waveguide switch matrix worked at 1.55 mu m, integrated with spot size converters is designed and fabricated for the first time. The insertion loss and polarization dependent loss are less than 13dB and 2dB, respectively. The extinction ratio is larger than 19dB. The response time is less than 5 mu s and the power consumption of the switch cell is about 200mW.