Switching ferroelectric domain configurations using both electric and magnetic fields in Pb(Zr,Ti)O3–Pb(Fe,Ta)O3 single-crystal lamellae

Thin single-crystal lamellae cut from Pb(Zr,Ti)O3–Pb(Fe,Ta)O3 ceramic samples have been integrated into simple coplanar capacitor devices. The influence of applied electric and magnetic fields on ferroelectric domain configurations has been mapped, using piezoresponse force microscopy. The extent to which magnetic fields alter the ferroelectric domains was found to be strongly history dependent: after switching had been induced by applying electric fields, the susceptibility of the domains to change under a magnetic field (the effective magnetoelectric coupling parameter) was large. Such large, magnetic field-induced changes resulted in a remanent domain state very similar to the remanent state induced by an electric field. Subsequent magnetic field reversal induced more modest ferroelectric switching.

Probing the Unfolded Configurations of a β-Hairpin Using Sketch-Map

This work examines the conformational ensemble involved in β-hairpin folding by means of advanced molecular dynamics simulations and dimensionality reduction. A fully atomistic description of the protein and the surrounding solvent molecules is used, and this complex energy landscape is sampled by means of parallel tempering metadynamics simulations. The ensemble of configurations explored is analyzed using the recently proposed sketch-map algorithm. Further simulations allow us to probe how mutations affect the structures adopted by this protein. We find that many of the configurations adopted by a mutant are the same as those adopted by the wild-type protein. Furthermore, certain mutations destabilize secondary-structure-containing configurations by preventing the formation of hydrogen bonds or by promoting the formation of new intramolecular contacts. Our analysis demonstrates that machine-learning techniques can be used to study the energy landscapes of complex molecules and that the visualizations that are generated in this way provide a natural basis for examining how the stabilities of particular configurations of the molecule are affected by factors such as temperature or structural mutations.

Multiple configurations of the two excess 4f electrons on defective CeO2(111):Origin and implications

Density-functional theory calculations have been carried out to systematically study single surface oxygen vacancies on CeO2(111). It is surprisingly found that multiple structures with the two excess electrons localized at different positions can exist. We show that the origin of the multiconfigurations of 4f electrons is a result of geometric relaxation on the surface and strong localization characteristic of 4f electrons in ceria. The importance of 4f electron structures is also presented and discussed. These results may possess implications for our understanding of materials with f electrons.

Radiative rates for E1, E2, M1, and M2 transitions among the 3s23p5, 3s3p6, and 3s23p43d configurations of Cl-like W LVIII

We report calculations of energy levels, radiative decay rates, and lifetimes for transitions among the 3s²3p⁵, 3s3p⁶, and 3s²3p⁴3d configurations of Cl-like W LVIII. The general-purpose relativistic atomic structure package (GRASP) has been adopted for our calculations. Comparisons are made with the most recent results of Mohan et al. (Can. J. Phys. 92, 177 (2014). doi:10.1139/cjp-2013-0348) and discrepancies in lifetimes are noted, up to four orders of magnitude in some instances. Our energy levels are estimated to be accurate to better than 0.5%, whereas results for radiative rates and lifetimes should be accurate to better than 20%.

An Investigation of Compressor Map Width Enhancement and the Inducer Flow Field Using Various Configurations of Shroud Bleed Slot

This paper describes an investigation of various shroud bleed slot configurations of a centrifugal compressor using CFD with a manual multi-block structured grid generation method. The compressor under investigation is used in a turbocharger application for a heavy duty diesel engine of approximately 400hp. The baseline numerical model has been developed and validated against experimental performance measurements. The influence of the bleed slot flow field on a range of operating conditions between surge and choke has been analysed in detail. The impact of the returning bleed flow on the incidence at the impeller blade leading edge due to its mixing with the main through-flow has also been studied. From the baseline geometry, a number of modifications to the bleed slot width have been proposed, and a detailed comparison of the flow characteristics performed. The impact of slot variations on the inlet incidence angle has been investigated, highlighting the improvement in surge and choked flow capability. Along with this, the influence of the bleed slot on stabilizing the blade passage flow by the suction of the tip and over-tip vortex flow by the slot has been considered near surge.

Reframing the Favela, Remapping the City: Territorial Embeddedness and (Trans)locality in “Framing Content” on Brazilian Favela Blogs

In recent years, the internet has become a key site for the portrayal of Rio de Janeiro’s favelas. This article examines blogging by favela residents and argues that digital culture constitutes a vital, and as yet not systematically explored, arena of research on the representation of Rio de Janeiro and its favelas. Based on ethnographically inspired research carried out in 2009–2010, this article examines two examples of blog ‘framing content’ (a sidebar and a static page) encountered during fieldwork, which functioned to establish a concrete link between the posts on the blogs in question, their authors, and a named favela, even when the posts were not explicitly about that favela. At the same time, the framing content also made visible, and affirmed, the translocal connections between that favela, other favelas, and the city as a whole. These illustrative examples from a wider study show how favela bloggers are engaged in resignifying and remapping the relationships between different empirical scales of locality (and associated identities) in Rio de Janeiro, demonstrating the contribution an interdisciplinary approach to the digital texts and practices of favela residents can make to an understanding of the contemporary city and its representational conundrums, from the perspective of ‘ordinary practitioners’.

Interactions between pyrazole derived enantiomers and Chiralcel OJ: Prediction of enantiomer absolute configurations and elution order by molecular dynamics simulations

The separation of enantiomers and confirmation of their absolute configurations is significant in the development of chiral drugs. The interactions between the enantiomers of chiral pyrazole derivative and polysaccharide-based chiral stationary phase cellulose tris(4-methylbenzoate) (Chiralcel OJ) in seven solvents and under different temperature were studied using molecular dynamics simulations. The results show that solvent effect has remarkable influence on the interactions. Structure analysis discloses that the different interactions between two isomers and chiral stationary phase are dependent on the nature of solvents, which may invert the elution order. The computational method in the present study can be used to predict the elution order and the absolute configurations of enantiomers in HPLC separations and therefore would be valuable in development of chiral drugs.

Ferroelectric Vortices and Related Configurations

This chapter discusses that the theoretical studies, using both atomistic and phenomenological approaches, have made clear predictions about the existence and behaviour of ferroelectric (FE) vortices. Effective Hamiltonians can be implemented within both Monte Carlo (MC) and molecular dynamics (MD) simulations. In contrast to the effective Hamiltonian method, which is atomistic in nature, the phase field method employs a continuum approach, in which the polarization field is the order parameter. Properties of FE nanostructures are largely governed by the existence of a depolarization field, which is much stronger than the demagnetization field in magnetic nanosystems. The topological patterns seen in rare earth manganites are often referred to as vortices and yet this claim never seems to be explicitly justified. By inspection, the form of a vortex structure is such that there is a continuous rotation in the orientation of dipole vectors around the singularity at the centre of the vortex.

The Extra-territorial Obligations of European States regarding Human Rights in the Context of Terrorism

This chapter focuses on the growing tendency of international human rights law to require states to protect the rights of non-nationals who are in the state unlawfully and of nationals and non-nationals who are outside the state, especially when any of these people are involved in terrorist or counter-terrorist activity. It reviews these additional obligations within a European context, focusing on EU law and the law of the European Convention on Human Rights and drawing on the case law of UK courts. Part 1 considers when a European state must grant asylum to alleged terrorists on the basis that otherwise they would suffer human rights abuses in the state from which they are fleeing. Part 2 examines whether, outside of asylum claims, a European state must not deport or extradite an alleged terrorist because he or she might suffer an abuse of human rights in the receiving state. Part 3 looks at whether a European state whose security forces are engaged in counter-terrorism activities abroad is obliged to protect the human rights of the individuals serving in those forces and/or the human rights of the alleged terrorists they are confronting. While welcoming the extension of state responsibility, the chapter notes that it is occurring in a way which introduces three aspects of relativity into the protection of human rights. First, European law protects only some human rights extra-territorially. Second, it protects those rights only when there is ‘a real risk’ of their being violated. Third, sometimes it protects those rights only when there is a real risk of their being violated ‘flagrantly’.

O papel das ADL na descentralização das políticas de planeamento e gestão territorial:o caso do GACOeste

Dissertação, Mestrado, Gestão das Organizações de Economia Social, Instituto Politécnico de Santarém, Escola Superior de Gestão e Tecnologia, 2013

Avelãs de Cima: alimentar uma pratica de marketing territorial, vencer uma crise local

No nosso País são numerosos os territórios rurais que se têm esvaziado de pessoas e de eventos… Com este processo, desaparecem estruturas, relações e vivências que acabam por resultar num conjunto de perdas, algumas irreparáveis, outras que intensificam múltiplas ruturas, muito difíceis de voltarem a coexistir, não só do ponto de vista dos recursos humanos, mas também do reconhecimento e valorização desses territórios. Ora, esta noção de perda tem sido vivida, sentida e partilhada pelos residentes mas, igualmente, por todos os outros utilizadores do território. No entanto, é possível ultrapassar este problema em alguns desses territórios, pois a persistência de recursos naturais ou outros, são de tanta relevância, tão assimilados e incorporados no sistema, que os seus não esquecimentos, as suas integrações nas atividades e as suas múltiplas utilizações podem ajudar a criar uma primeira base de manutenção e valorização global, reduzindo fragilidades e permitindo a concentração de várias funções, sem colidirem com o perfil de desenvolvimento desejado. A freguesia de Avelãs de Cima, no concelho de Anadia é um exemplo do descrito: um território rural, onde as funções económicas têm estado essencialmente assentes em práticas agrícolas e florestais. Como detém características exclusivas e espaços muito próprios, suficientemente distintivos por comparação com a oferta global dos territórios adjacentes, reconhecidos pela sua qualidade e diferenciação pelos utilizadores, apresenta-se um estudo de caso, com a aplicação de conceitos e ideias suportados em práticas empreendedoras e de marketing territorial, aproveitando as novas procuras da representação do rural, valorizando outras funções dos espaços rurais que não exclusivamente a agrícola, num quadro de preservação da identidade dos aglomerados rurais e de respeito e reforço do sentido de pertença, e que passa também pela formulação de atividades que satisfaçam conjuntamente residentes, visitantes e investidores.