955 resultados para First-principles calculation


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Catalysis at organophilic silica-rich surfaces of zeolites and feldspars might generate replicating biopolymers from simple chemicals supplied by meteorites, volcanic gases, and other geological sources. Crystal–chemical modeling yielded packings for amino acids neatly encapsulated in 10-ring channels of the molecular sieve silicalite-ZSM-5-(mutinaite). Calculation of binding and activation energies for catalytic assembly into polymers is progressing for a chemical composition with one catalytic Al–OH site per 25 neutral Si tetrahedral sites. Internal channel intersections and external terminations provide special stereochemical features suitable for complex organic species. Polymer migration along nano/micrometer channels of ancient weathered feldspars, plus exploitation of phosphorus and various transition metals in entrapped apatite and other microminerals, might have generated complexes of replicating catalytic biomolecules, leading to primitive cellular organisms. The first cell wall might have been an internal mineral surface, from which the cell developed a protective biological cap emerging into a nutrient-rich “soup.” Ultimately, the biological cap might have expanded into a complete cell wall, allowing mobility and colonization of energy-rich challenging environments. Electron microscopy of honeycomb channels inside weathered feldspars of the Shap granite (northwest England) has revealed modern bacteria, perhaps indicative of Archean ones. All known early rocks were metamorphosed too highly during geologic time to permit simple survival of large-pore zeolites, honeycombed feldspar, and encapsulated species. Possible microscopic clues to the proposed mineral adsorbents/catalysts are discussed for planning of systematic study of black cherts from weakly metamorphosed Archaean sediments.

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Criado inicialmente com a função básica de proteção aos pés, o calçado tornou-se um objeto de desejo e um acessório essencial de moda. Entre 1950 a 2015, estima-se que a produção mundial passe de 2,5 bilhões de pares produzidos para 25 bilhões de pares por ano, crescimento bem maior do que a população mundial. O couro, principal matéria-prima para a confecção de calçados, caracteriza-se por gerar grandes quantidades de resíduos ao longo de toda a cadeia produtiva. Especificamente na indústria coureiro-calçadista, o problema concentra-se nos elevados volumes de resíduos gerados na atividade produtiva, podendo causar desperdícios e grandes volumes de resíduos a serem descartados, envolvendo, principalmente, questões financeiras e ambientais. Países como Alemanha e Estados Unidos possuem legislação específica sobre a gestão de resíduos desde os anos 1970. No Brasil, depois de mais de 20 anos de tramitação no Congresso Nacional, em 2010, foi instituída a Política Nacional de Resíduos Sólidos, que reúne princípios, objetivos, instrumentos, diretrizes e metas, que deverão ser adotados pelos governos nas esferas federal, estadual e municipal, bem como pelas empresas com vistas à gestão integrada e ao gerenciamento ambientalmente adequado dos resíduos sólidos. Dessa forma, o objetivo desta tese foi desenvolver um modelo de gestão de resíduos industriais para o setor calçadista de Franca-SP com vistas à Política Nacional de Resíduos Sólidos. O desenvolvimento do modelo teve como ponto de partida um estudo bibliográfico sobre o assunto e, na sequência, por intermédio de uma pesquisa aplicada, conseguiu-se, em um primeiro momento, analisar a situação atual para compreender o modelo de gestão de resíduos vigente e realizar uma pesquisa de diagnóstico dos resíduos industriais do setor. Tal pesquisa possibilitou verificar que atualmente, esses resíduos, são enviados em sua totalidade para aterros sanitários, possibilitou também sua quantificação e cálculos dos custos envolvidos para transporte e destinação. Na sequência, realizaram-se estudos sobre a viabilidade técnica e financeira para tratamento térmico desses resíduos e a busca de benchmark no setor. O estudo também proporcionou uma contribuição de caráter mais prático e/ou gerencial ao recomendar diretrizes para a elaboração de um plano de gestão integrada de resíduos industriais para o setor, e uma proposta de gestão compartilhada dos resíduos industriais entre a entidade de classe e as indústrias calçadistas, com vistas à eliminação de envio desses resíduos para aterros. Dessa forma, contribuiu também para a elaboração do Plano Municipal de Gestão Integrada de Resíduos Sólidos do município em questão. Nesse sentido, após as análises e desdobramentos das etapas anteriores, foi possível propor um modelo de gestão de resíduos industriais, bem como demonstrar sua viabilidade técnica e financeira. Tal modelo foi denominado \"Modelo de Equiparação de Custos com Eficiência Ambiental\".

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Lying has a complicated relationship with the First Amendment. It is beyond question that some lies – such as perjury or pretending to be a police officer – are not covered by the First Amendment. But it is equally clear that some lies, even intentionally lying about military honors, are entitled to First Amendment protection. U.S. v. Alvarez, 132 S. Ct. 2537 (2012). To date, however, both Supreme Court doctrine and academic commentary has taken for granted that any constitutional protection for lies is purely prophylactic – it protects the liar to avoid chilling truthful speech. This Article is the first to argue, contrary to conventional wisdom, that certain types of lies paradoxically advance the values underlying the First Amendment. Our framework is descriptively novel and doctrinally important insofar as we provide the first comprehensive post-Alvarez look at the wide range of lies that may raise First Amendment issues. Because there was no majority opinion in Alvarez, there is uncertainty about which standard of constitutional scrutiny should apply to protected lies, an issue we examine at length. Moreover, our normative claim is straightforward: when a lie has intrinsic or instrumental value it should be treated differently from other types of lies and warrant the greatest constitutional protection. Specifically, we argue that investigative deceptions – lies used to secure truthful factual information about matters of public concern – deserve the utmost constitutional protection because they advance the underling purposes of free speech: they enhance political discourse, help reveal the truth, and promote individual autonomy. A prototypical investigative deception is the sort of misrepresentation required in order for an undercover journalist, investigator, or activist to gain access to information or images of great political significance that would not be available if the investigator disclosed her reporting or political objectives. Tactical use of such lies have a long history in American journalism and activism, from Upton Sinclair to his modern day heirs. Using the proliferation of anti-whistleblower statutes like Ag Gag laws as an illustrative example, we argue that investigative deceptions are a category of high value lies that ought to receive rigorous protection under the First Amendment. At the same time, we recognize that not all lies are alike and that in other areas, the government regulation of lies serves legitimate interests. We therefore conclude the Article by drawing some limiting principles to our theory.

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Small scrap of paper with a handwritten calculation of the January 1792 salary of an unidentified minister, presumably the minister of the first Parish of Cambridge based on lines for "Parsonage" and "Lexington farm fund."

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From the Introduction. The European Court of Justice, partly followed in this by the European legislator, has regulated Community law and policy through a set of general principles of law. For the Community legal order in the first pillar, general legal principles have developed from functional policy areas such as the internal market, the customs union, the monetary union, the common agricultural policy, the European competition policy, etc., which are of great importance for the quality and legitimacy of Community law. The principles in question are not so much general legal principles of an institutional character, such as the priority of Community law, direct effect or Community loyalty, but rather principles of law which shape the fundamental rights and basic rights of the citizen. I refer to the principle of legality, of nulla poena, the inviolability of the home, the nemo tenetur principle, due process, the rights of the defence, etc. Many of these legal principles have been elevated to primary Community law status by the European Court of Justice, often as a result of preliminary questions. Nevertheless, a considerable number of them have also been elaborated in the context of contentious proceedings before the Court of Justice, such as in the framework of European competition law and European public servants law.

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EXECUTIVE SUMMARY All observers agree that energy efficiency must be the cornerstone of any serious EU energy strategy. In this general context, the EU building sector is critical. It represents about 40% of EU final energy consumption (residential houses, public/private offices, commercial buildings, etc.) and approximately 36% of EU CO2 emissions. This is massive. The EU has certainly not been inactive in this field. The Energy Performance in Buildings Directive 2002/91/EC (EPBD) was the first and the main instrument to address the problem of the energy performance of buildings. It has established numerous principles: a reliable methodology which enables the calculation and rating of the energy performance of buildings; minimum energy performance standards for new buildings and existing buildings under major renovation; energy performance certificates; regular inspection of heating and air-conditioning systems; and, finally, quality standards for inspections and energy performance certificates. They were strengthened in 2010 by the recast Directive 2010/31/EU. This directive also introduces a decisive concept for the development of the building sector: ‘nearly zeroenergy buildings’. In 2012, the new Energy Efficiency Directive 2012/27/EU dealt with other aspects. In the building sector, three of them are particularly important. They concern: (1) the establishment of long-term strategies for mobilizing investment in the renovation of the national building stocks; (2) the introduction of energy saving schemes for ‘designated’ energy companies with a view to reducing consumption among ‘final consumers’ by 1.5% annually; and (3), as an option, the setting up of an Energy Efficiency National Fund to support energy efficiency initiatives. This paper also briefly examines the different instruments put in place to disseminate information and consultation, and the EU funding for energy efficiency in buildings. Results, however, have remained limited until now. The improvement of the energy performance of buildings and the rhythm of renovation remain extremely weak. Member States’ unwillingness to timely and properly transpose and implement the Directives continues despite the high degree of flexibility permitted. The decentralized approach chosen for some specific aspects and the differentiation in the application of EPBD standards between Member States do not appear optimal either. Adequate financial schemes remain rare. The permanent deficit of qualified and trained personnel and the inertia of public authorities to make the public understand the stakes in this domain remain problematic. Hence the need to take new initiatives to reap the benefits that the building sector is meant to bring.

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High-resolution records of carbon and oxygen isotopes and benthic foraminiferal accumulation rates for the Eocene-Oligocene section at Ocean Drilling Program Site 689 (Maud Rise, Weddell Sea; paleodepth about 1500 m) were used to infer variations in paleoproductivity in relation to changes in climate and ventilation of the deeper-water column. The benthic foraminiferal abundance and isotope records show short-term fluctuations at periodicities of 100 and 400 ka, implying orbitally driven climatic variations. Both records suggest that intermediate-depth water chemistry and primary productivity changed in response to climate. During the Eocene, productivity increased during cold periods and during cold-to-warm transitions, possibly as a result of increased upwelling of nutrient-rich waters. In the Oligocene, in contrast, productivity maxima occurred during intervals of low delta18O values (presumably warmer periods), when a proto-polar front moved to the south of the location of Site 689. This profound transition in climate-productivity patterns occurred around 37 Ma, coeval with rapid changes toward increasing variability of the oxygen and carbon isotope and benthic abundance records and toward larger-amplitude delta18O fluctuations. Therefore, we infer that, at this time, temperature fluctuations increased and a proto-polar front formed in conjunction with the first distinct pulsations in size of the Antarctic ice sheet. We speculate that this major change might have resulted from an initial opening of the Drake Passage at 37 Ma, at least for surface- and intermediate-water circulation.

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Pages 1-16 at end of vol. are publisher's advertisements.

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"The first six volumes of this work recorded the progress of Surgery down to 1913. Then came the Great War ... Hence, immediately after the Armistice ... I began to assemble a full staff of experts, whose work appears in Volumes VII and VIII."--Preface, v.7, 1921.