446 resultados para Subsystems
Resumo:
A literature review was conducted to locate information on the flow of energy from primary producers to the fishery stocks of the Puerto Rican-Virgin Islands insular shelf. This report uses site-specific information to describe the major ecological subsystems, or habitats, of the region, to identify the more common species and the subsystems in which they occur, to quantify productivity and biomass, and to outline trophic relationships. Discussions on each topic and subsystem vary in substance and detail, being limited by the availability and accessibility of information. (PDF contains 189 pages) Seven distinct subsystems are described: mangrove estuary, seagrass bed, coral reef, algal plain, sand/mud bottom, shelf break, and overlying pelagic. Over 50 tables provide lists of species found in each habitat on various surveys dating back to 1956. Estimates of density, relative abundance, and productivity are provided when possible. We evaluated whether sufficient information exists to support an analysis of the energy basis of fishery production in the area, beginning with the design and development of an ecosystem model. Data needs in three categories - species lists, biomass, and trophic relations - were examined for each subsystem and for each of three species groups - primary producers, invertebrates, and fish. We concluded that adequate data, sufficient for modeling purposes, are available in 16 (25%) of 64 categories; limited data, those requiring greater extrapolation, are available in 35 (55%) categories; and no data are available in 13 (20%) categories. The best-studied subsystems are seagrass beds and coral reefs, with at least limited data in all categories. Invertebrates, the intermediate link in the food web between primary producers and fishes, are the least quantified group in the region. Primary production and fishes, however, are relatively well-studied, providing sufficient data to support an ecosystem-level analysis and to initiate a modeling effort.
Resumo:
Commonly adopted approaches to managing small-scale fisheries (SSFs) in developing countries do not ensure sustainability. Progress is impeded by a gap between innovative SSF research and slower-moving SSF management. The paper aims to bridge the gap by showing that the three primary bases of SSF management--ecosystem, stakeholders’ rights and resilience--are mutually consistent and complementary. It nominates the ecosystem approach as an appropriate starting point because it is established in national and international law and policy. Within this approach, the emerging resilience perspective and associated concepts of adaptive management and institutional learning can move management beyond traditional control and resource-use optimization, which largely ignore the different expectations of stakeholders; the complexity of ecosystem dynamics; and how ecological, social, political and economic subsystems are linked. Integrating a rights-based perspective helps balance the ecological bias of ecosystem-based and resilience approaches. The paper introduces three management implementation frameworks that can lend structure and order to research and management regardless of the management approach chosen. Finally, it outlines possible research approaches to overcome the heretofore limited capacity of fishery research to integrate across ecological, social and economic dimensions and so better serve the management objective of avoiding fishery failure by nurturing and preserving the ecological, social and institutional attributes that enable it to renew and reorganize itself. (PDF contains 29 pages)
Resumo:
ICINCO 2010
Resumo:
Background: Over many years, it has been assumed that enzymes work either in an isolated way, or organized in small catalytic groups. Several studies performed using "metabolic networks models'' are helping to understand the degree of functional complexity that characterizes enzymatic dynamic systems. In a previous work, we used "dissipative metabolic networks'' (DMNs) to show that enzymes can present a self-organized global functional structure, in which several sets of enzymes are always in an active state, whereas the rest of molecular catalytic sets exhibit dynamics of on-off changing states. We suggested that this kind of global metabolic dynamics might be a genuine and universal functional configuration of the cellular metabolic structure, common to all living cells. Later, a different group has shown experimentally that this kind of functional structure does, indeed, exist in several microorganisms. Methodology/Principal Findings: Here we have analyzed around 2.500.000 different DMNs in order to investigate the underlying mechanism of this dynamic global configuration. The numerical analyses that we have performed show that this global configuration is an emergent property inherent to the cellular metabolic dynamics. Concretely, we have found that the existence of a high number of enzymatic subsystems belonging to the DMNs is the fundamental element for the spontaneous emergence of a functional reactive structure characterized by a metabolic core formed by several sets of enzymes always in an active state. Conclusions/Significance: This self-organized dynamic structure seems to be an intrinsic characteristic of metabolism, common to all living cellular organisms. To better understand cellular functionality, it will be crucial to structurally characterize these enzymatic self-organized global structures.
Resumo:
Plasma-arc technology was developed to dispose of chemical wastes from a chemical plant by the Institute of Mechanics, Chinese Academy of Sciences (CAS-IMECH). A pilot plant system with this technology was constructed to destroy two types of chemical wastes. The system included shredding, mixing, and feeding subsystems, a plasma-arc reactor of 150 kW, an off-gas burning subsystem, and a scrubbing subsystem. The additives (CaO, SiO2, and Fe) were added into the reactor to form vitrified slag and capture the hazardous elements. The molten slag was quickly quenched to form an amorphous glassy structure. A direct current (DC) experimental facility of 30kW with plasma-arc technology was also set up to study the pyrolysis process in the laboratory, and the experimental results showed the cooling speed is the most important factor for good vitrified structure of the slag. According to previous tests, the destruction and removal efficiency (DRE) for these chemical wastes was more than 99.999%, and the polychlorinated biphenyls (PCBs) concentration in the solid residues was in the range of 1.28 to 12.9mg/kg, which is far below the Chinese national emission limit for the hazardous wastes. A simplified electromagneto model for numerical simulation was developed to predict the temperature and velocity fields. This model can make satisfactory maximum temperature and velocity distributions in the arc region, as well as the results by the magneto hydrodynamic approach.
Resumo:
We investigate the optical transmission properties of a combined system which consists of two quantum-dot-nanocavity subsystems indirectly coupled to a waveguide in a planar photonic crystal. A Mollow-like triplet and the growth of sidebands are found, reflecting intrinsic optical responses in the complex microstructure.
Resumo:
Methods that exploit the intrinsic locality of molecular interactions show significant promise in making tractable the electronic structure calculation of large-scale systems. In particular, embedded density functional theory (e-DFT) offers a formally exact approach to electronic structure calculations in which the interactions between subsystems are evaluated in terms of their electronic density. In the following dissertation, methodological advances of embedded density functional theory are described, numerically tested, and applied to real chemical systems.
First, we describe an e-DFT protocol in which the non-additive kinetic energy component of the embedding potential is treated exactly. Then, we present a general implementation of the exact calculation of the non-additive kinetic potential (NAKP) and apply it to molecular systems. We demonstrate that the implementation using the exact NAKP is in excellent agreement with reference Kohn-Sham calculations, whereas the approximate functionals lead to qualitative failures in the calculated energies and equilibrium structures.
Next, we introduce density-embedding techniques to enable the accurate and stable calculation of correlated wavefunction (CW) in complex environments. Embedding potentials calculated using e-DFT introduce the effect of the environment on a subsystem for CW calculations (WFT-in-DFT). We demonstrate that WFT-in-DFT calculations are in good agreement with CW calculations performed on the full complex.
We significantly improve the numerics of the algorithm by enforcing orthogonality between subsystems by introduction of a projection operator. Utilizing the projection-based embedding scheme, we rigorously analyze the sources of error in quantum embedding calculations in which an active subsystem is treated using CWs, and the remainder using density functional theory. We show that the embedding potential felt by the electrons in the active subsystem makes only a small contribution to the error of the method, whereas the error in the nonadditive exchange-correlation energy dominates. We develop an algorithm which corrects this term and demonstrate the accuracy of this corrected embedding scheme.
Resumo:
The high computational cost of correlated wavefunction theory (WFT) calculations has motivated the development of numerous methods to partition the description of large chemical systems into smaller subsystem calculations. For example, WFT-in-DFT embedding methods facilitate the partitioning of a system into two subsystems: a subsystem A that is treated using an accurate WFT method, and a subsystem B that is treated using a more efficient Kohn-Sham density functional theory (KS-DFT) method. Representation of the interactions between subsystems is non-trivial, and often requires the use of approximate kinetic energy functionals or computationally challenging optimized effective potential calculations; however, it has recently been shown that these challenges can be eliminated through the use of a projection operator. This dissertation describes the development and application of embedding methods that enable accurate and efficient calculation of the properties of large chemical systems.
Chapter 1 introduces a method for efficiently performing projection-based WFT-in-DFT embedding calculations on large systems. This is accomplished by using a truncated basis set representation of the subsystem A wavefunction. We show that naive truncation of the basis set associated with subsystem A can lead to large numerical artifacts, and present an approach for systematically controlling these artifacts.
Chapter 2 describes the application of the projection-based embedding method to investigate the oxidative stability of lithium-ion batteries. We study the oxidation potentials of mixtures of ethylene carbonate (EC) and dimethyl carbonate (DMC) by using the projection-based embedding method to calculate the vertical ionization energy (IE) of individual molecules at the CCSD(T) level of theory, while explicitly accounting for the solvent using DFT. Interestingly, we reveal that large contributions to the solvation properties of DMC originate from quadrupolar interactions, resulting in a much larger solvent reorganization energy than that predicted using simple dielectric continuum models. Demonstration that the solvation properties of EC and DMC are governed by fundamentally different intermolecular interactions provides insight into key aspects of lithium-ion batteries, with relevance to electrolyte decomposition processes, solid-electrolyte interphase formation, and the local solvation environment of lithium cations.
Resumo:
Part I
Solutions of Schrödinger’s equation for system of two particles bound in various stationary one-dimensional potential wells and repelling each other with a Coulomb force are obtained by the method of finite differences. The general properties of such systems are worked out in detail for the case of two electrons in an infinite square well. For small well widths (1-10 a.u.) the energy levels lie above those of the noninteresting particle model by as much as a factor of 4, although excitation energies are only half again as great. The analytical form of the solutions is obtained and it is shown that every eigenstate is doubly degenerate due to the “pathological” nature of the one-dimensional Coulomb potential. This degeneracy is verified numerically by the finite-difference method. The properties of the square-well system are compared with those of the free-electron and hard-sphere models; perturbation and variational treatments are also carried out using the hard-sphere Hamiltonian as a zeroth-order approximation. The lowest several finite-difference eigenvalues converge from below with decreasing mesh size to energies below those of the “best” linear variational function consisting of hard-sphere eigenfunctions. The finite-difference solutions in general yield expectation values and matrix elements as accurate as those obtained using the “best” variational function.
The system of two electrons in a parabolic well is also treated by finite differences. In this system it is possible to separate the center-of-mass motion and hence to effect a considerable numerical simplification. It is shown that the pathological one-dimensional Coulomb potential gives rise to doubly degenerate eigenstates for the parabolic well in exactly the same manner as for the infinite square well.
Part II
A general method of treating inelastic collisions quantum mechanically is developed and applied to several one-dimensional models. The formalism is first developed for nonreactive “vibrational” excitations of a bound system by an incident free particle. It is then extended to treat simple exchange reactions of the form A + BC →AB + C. The method consists essentially of finding a set of linearly independent solutions of the Schrödinger equation such that each solution of the set satisfies a distinct, yet arbitrary boundary condition specified in the asymptotic region. These linearly independent solutions are then combined to form a total scattering wavefunction having the correct asymptotic form. The method of finite differences is used to determine the linearly independent functions.
The theory is applied to the impulsive collision of a free particle with a particle bound in (1) an infinite square well and (2) a parabolic well. Calculated transition probabilities agree well with previously obtained values.
Several models for the exchange reaction involving three identical particles are also treated: (1) infinite-square-well potential surface, in which all three particles interact as hard spheres and each two-particle subsystem (i.e. BC and AB) is bound by an attractive infinite-square-well potential; (2) truncated parabolic potential surface, in which the two-particle subsystems are bound by a harmonic oscillator potential which becomes infinite for interparticle separations greater than a certain value; (3) parabolic (untruncated) surface. Although there are no published values with which to compare our reaction probabilities, several independent checks on internal consistency indicate that the results are reliable.
Resumo:
Technological progress, having reached in our time an unprecedented speed, is still increasing the rate of mineral extraction, industrial construction, and the mastering of new kinds of energy is growing. Correspondingly the anthropogenic load on the biosphere is increased and that requires the comprehensive development of monitoring the anthropogenic changes in the natural environment. Among problems resulting from the scientific-technological development, a noticeable place is given to the problem of pure water. Surface land waters proved to be a sensitive link in the natural environment. The hydrobiological service for observations and control of the surface waters is one of the subsystems of the State/Federal Service for Observations and Control of pollution levels in environmental objects, conducted by the USSR State Committee for Hydrometeor- ology and Control of the Natural Environment. This paper summarises the the main principles of the organisation and goals of the national system of monitoring of the state of the natural environment in the USSR.
Resumo:
Constata-se que a reforma sanitária brasileira representa um avanço na direção de uma concepção avançada de sistema de saúde. Entretanto o SUS, com toda a materialidade das reformas ao nível macro induzidas a partir dos avanços na legislação, a implantação da regionalização e hierarquização da assistência, e dos instrumentos de gestão, assim como todas as grandes organizações modernas, padece de problemas de coordenação na operação de suas ações. Este trabalho pretende discutir as possibilidades e limites das mudanças organizacionais induzidas pela implementação do SUS na configuração dos sistemas locoregionais de saúde, à luz das experiências internacionais e das contribuições mais recentes das teorias organizacionais, no contexto da transição do fordismo à acumulação flexível. A partir do referencial da teoria dos sistemas, considera-se a contribuição das teorias organizacionais fordistas, pós-fordistas e pós-modernistas na especificidade do campo da saúde coletiva, para discutir a efetividade dos seus subsistemas cibernéticos do SUS: controle, avaliação, regulação, auditoria e vigilância em saúde, no complexo contexto da configuração do poder deste setor. Verifica-se que o SUS, constituído a partir de culturas organizacionais fordistas, do antigo INAMPS e da Saúde Pública tradicional, não tem obtido êxito em configurar estruturas organizacionais competentes, na medida em que reproduz os modelos tradicionais nos seus sistemas de controle. Esta dificuldade em parte deve-se ao momento histórico, que fez coincidir o momento dos avanços na legislação, em direção à ampliação do direito à saúde, com o momento das reestruturações dos aparelhos estatais decorrente da crise global do modo de produção fordista, e com as profundas transformações demográficas, epidemiológicas e da tecnologia da assistência médica. Por outro lado, a disponibilidade de soluções pósfordistas propicia um padrão para a conformação de novas regras e novos modos de regulação do sistema de saúde, que induzam a comportamentos auto-reguladores por parte dos prestadores de serviços de saúde, considerando as metas de equidade e de melhoria da saúde da população. Conclui-se que a necessária reforma do setor saúde demanda o fortalecimento de uma tecno-burocracia protegida contra injunções político-partidárias, que possibilite a incubação uma cultura organizacional profissional em todas as esferas de governo e níveis de gestão, que incentive um trabalho em saúde competente e moralmente comprometido com as finalidades do SUS nesse país.
Resumo:
Nowadays, train control in-lab simulation tools play a crucial role in reducing extensive and expensive on-site railway testing activities. In this paper, we present our contribution in this arena by detailing the internals of our European Railway Train Management System in-lab demonstrator. This demonstrator is built over a general-purpose simulation framework, Riverbed Modeler, previously Opnet Modeler. Our framework models both ERTMS subsystems, the Automatic Train Protection application layer based on movement authority message exchange and the telecommunication subsystem based on GSM-R communication technology. We provide detailed information on our modelling strategy. We also validate our simulation framework with real trace data. To conclude, under current industry migration scenario from GSM-R legacy obsolescence to IP-based heterogeneous technologies, our simulation framework represents a singular tool to railway operators. As an example, we present the assessment of related performance indicators for a specific railway network using a candidate replacement technology, LTE, versus current legacy technology. To the best of our knowledge, there is no similar initiative able to measure the impact of the telecommunication subsystem in the railway network availability.
Resumo:
One of the key systems of a Wave Energy Converter for extraction of wave energy is the Power Take-Off (PTO) device. This device transforms the mechanical energy of a moving body into electrical energy. This paper describes the model of an innovative PTO based on independently activated double-acting hydraulic cylinders array. The model has been developed using a simulation tool, based on a port-based approach to model hydraulics systems. The components and subsystems used in the model have been parameterized as real components and their values experimentally obtained from an existing prototype. In fact, the model takes into account most of the hydraulic losses of each component. The simulations show the flexibility to apply different restraining torques to the input movement depending on the geometrical configuration and the hydraulic cylinders on duty, easily modified by a control law. The combination of these two actions allows suitable flexibility to adapt the device to different sea states whilst optimizing the energy extraction. The model has been validated using a real test bench showing good correlations between simulation and experimental tests.