Cation disorder and phase transitions in the structurally complex solar cell material Cu2ZnSnS4

Cu2ZnSnS4 (CZTS) is a technologically important and complex quaternary semiconductor and a highly promising material for the absorber layer in sustainable thin film solar cells. Its photovoltaic performance is currently limited by low open-circuit voltage, thought to be due to a range of point defects such as disorder between the copper and zinc lattice sites. This is the highest-resolution neutron diffraction study reported for CZTS, which unambiguously identifies the crystal symmetry and accurately quantifies precise values for the disorder on all cation symmetry sites as a function of temperature. Two samples of CZTS were fabricated by solid state reaction and their compositions were measured by inductively-coupled plasma mass spectroscopy, which identified significant tin loss during growth, leaving the samples Sn-poor, Cu-rich and Sn-poor, Zn-rich respectively. Both samples were found exclusively to adopt the tetragonal kesterite crystal structure with significant cation disorder, which is investigated in detail over the range 4–1275 K. Importantly, and in contrast to previous reports, the 2a Wyckoff site shows disorder equal to or greater than the 2c site. The order–disorder phase transition was observed at different temperatures for the two compositions, 489 and 501 K respectively, lower than previously reported. The kesterite–sphalerite transition was observed between 1250 and 1275 K for the Sn-poor, Cu-rich sample, significantly higher than previously reported. These results provide new insights into the high levels of disorder present in CZTS and confirm that composition and cation disorder have a significant effect on the phase transition mechanism. This work will enable the development of routes to the fabrication of higher-efficiency photovoltaic devices

Local states of free bose fields

These notes contain an extended version of lectures given at the ``Summer School on Large Coulomb Systems'' in Nordfjordeid, Norway, in august 2003. They furnish a short introduction to the theory of quantum harmonic systems, or free bose fields. The main issue addressed is the one of local states. I will adopt the definition of Knight of ``strictly local excitation of the vacuum'' and will then state and prove a generalization of Knight's Theorem which asserts that finite particle states cannot be perfectly localized. It will furthermore be explained how Knight's a priori counterintuitive result can be readily understood if one remembers the analogy between finite and infinite dimensional harmonic systems alluded to above. I will also discuss the link between the above result and the so-called Newton-Wigner position operator thereby illuminating, I believe, the difficulties associated with the latter. I will in particular argue that those difficulties do not find their origin in special relativity or in any form of causality violation, as is usually claimed

Full quantum solutions to the resonant four-wave mixing of two single-photon wave packets

We analyze both analytically and numerically the resonant four-wave mixing of two co-propagating single-photon wave packets. We present analytic expressions for the two-photon wave function and show that soliton-type quantum solutions exist which display a shape-preserving oscillatory exchange of excitations between the modes. Potential applications including quantum information processing are discussed.Comment: 7 pages, 3 figure

The role of lubricant feeding conditions on the performance improvement and friction reduction of journal bearings

Most conventional hydrodynamic journal bearing performance tools can not suitably assess the effect of lubricant feeding conditions on bearing performance, even though these conditions are known to affect important performance parameters such as eccentricity and powerloss. A thermohydrodynamic analysis suitable to deal with realistic feeding conditions has been proposed. Special attention was given to the treatment of phenomena taking place within grooves and their vicinity,as well as to the ruptured film region. The effec to flubricant feeding pressure and temperature, groove length ratio,width ratio and number (single/twin) on bearing performance has been analyzed for a broad range of conditions.It was found that a careful tuning of the feeding conditions may indeed improve bearing performance.FCT - POCTI/EME/39202/200

Human well-being impacts of terrestrial protected areas

© 2013 Pullin et al.; licensee BioMed Central Ltd. Background: Establishing Protected Areas (PAs) is among the most common conservation interventions. Protecting areas from the threats posed by human activity will by definition inhibit some human actions. However, adverse impacts could be balanced by maintaining ecosystem services or introducing new livelihood options. Consequently there is an ongoing debate on whether the net impact of PAs on human well-being at local or regional scales is positive or negative. We report here on a systematic review of evidence for impacts on human well-being arising from the establishment and maintenance of terrestrial PAs. Methods: Following an a priori protocol, systematic searches were conducted for evidence of impacts of PAs post 1992. After article title screening, the review was divided into two separate processes; a qualitative synthesis of explanations and meaning of impact and a review of quantitative evidence of impact. Abstracts and full texts were assessed using inclusion criteria and conceptual models of potential impacts. Relevant studies were critically appraised and data extracted and sorted according to type of impact reported. No quantitative synthesis was possible with the evidence available. Two narrative syntheses were produced and their outputs compared in a metasynthesis. Results: The qualitative evidence review mapped 306 articles and synthesised 34 that were scored as high quality. The quantitative evidence review critically appraised 79 studies and included 14 of low/medium susceptibility to bias. The meta-synthesis reveals that a range of factors can lead to reports of positive and negative impacts of PA establishment, and therefore might enable hypothesis generation regarding cause and effect relationships, but resulting hypotheses cannot be tested with the current available evidence. Conclusions: The evidence base provides a range of possible pathways of impact, both positive and negative, of PAs on human well-being but provides very little support for decision making on how to maximise positive impacts. The nature of the research reported to date forms a diverse and fragmented body of evidence unsuitable for the purpose of informing policy formation on how to achieve win-win outcomes for biodiversity and human well-being. To better assess the impacts of PAs on human well-being we make recommendations for improving research study design and reporting

Nucleation of a sodium droplet on C60

We investigate theoretically the progressive coating of C60 by several sodium atoms. Density functional calculations using a nonlocal functional are performed for NaC60 and Na2C60 in various configurations. These data are used to construct an empirical atomistic model in order to treat larger sizes in a statistical and dynamical context. Fluctuating charges are incorporated to account for charge transfer between sodium and carbon atoms. By performing systematic global optimization in the size range 1<=n<=30, we find that Na_nC60 is homogeneously coated at small sizes, and that a growing droplet is formed above n=>8. The separate effects of single ionization and thermalization are also considered, as well as the changes due to a strong external electric field. The present results are discussed in the light of various experimental data.Comment: 17 pages, 10 figure

The impact of working memory load on task execution and online plan adjustment during multitasking in a virtual environment

Three experiments investigated the impact of working memory load on online plan adjustment during a test of multitasking in young, nonexpert, adult participants. Multitasking was assessed using the Edinburgh Virtual Errands Test (EVET). Participants were asked to memorize either good or poor plans for performing multiple errands and were assessed both on task completion and on the extent to which they modified their plans during EVET performance. EVET was performed twice, with and without a secondary task loading a component of working memory. In Experiment 1, articulatory suppression was used to load the phonological loop. In Experiment 2, oral random generation was used to load executive functions. In Experiment 3, spatial working memory was loaded with an auditory spatial localization task. EVET performance for both good- and poor-planning groups was disrupted by random generation and sound localization, but not by articulatory suppression. Additionally, people given a poor plan were able to overcome this initial disadvantage by modifying their plans online. It was concluded that, in addition to executive functions, multiple errands performance draws heavily on spatial, but not verbal, working memory resources but can be successfully completed on the basis of modifying plans online, despite a secondary task load

Low Complexity Regularization of Linear Inverse Problems

Inverse problems and regularization theory is a central theme in contemporary signal processing, where the goal is to reconstruct an unknown signal from partial indirect, and possibly noisy, measurements of it. A now standard method for recovering the unknown signal is to solve a convex optimization problem that enforces some prior knowledge about its structure. This has proved efficient in many problems routinely encountered in imaging sciences, statistics and machine learning. This chapter delivers a review of recent advances in the field where the regularization prior promotes solutions conforming to some notion of simplicity/low-complexity. These priors encompass as popular examples sparsity and group sparsity (to capture the compressibility of natural signals and images), total variation and analysis sparsity (to promote piecewise regularity), and low-rank (as natural extension of sparsity to matrix-valued data). Our aim is to provide a unified treatment of all these regularizations under a single umbrella, namely the theory of partial smoothness. This framework is very general and accommodates all low-complexity regularizers just mentioned, as well as many others. Partial smoothness turns out to be the canonical way to encode low-dimensional models that can be linear spaces or more general smooth manifolds. This review is intended to serve as a one stop shop toward the understanding of the theoretical properties of the so-regularized solutions. It covers a large spectrum including: (i) recovery guarantees and stability to noise, both in terms of $\ell^2$-stability and model (manifold) identification; (ii) sensitivity analysis to perturbations of the parameters involved (in particular the observations), with applications to unbiased risk estimation ; (iii) convergence properties of the forward-backward proximal splitting scheme, that is particularly well suited to solve the corresponding large-scale regularized optimization problem

Development of the genetic code: insights from a fungal codon reassignment

The high conservation of the genetic code and its fundamental role in genome decoding suggest that its evolution is highly restricted or even frozen. However, various prokaryotic and eukaryotic genetic code alterations, several alternative tRNA-dependent amino acid biosynthesis pathways, regulation of tRNA decoding by diverse nucleoside modifications and recent in vivo incorporation of non-natural amino acids into prokaryotic and eukaryotic proteins, show that the code evolves and is surprisingly flexible. The cellular mechanisms and the proteome buffering capacity that support such evolutionary processes remain unclear. Here we explore the hypothesis that codon misreading and reassignment played fundamental roles in the development of the genetic code and we show how a fungal codon reassignment is enlightening its evolution.publishe

Quantum walks: a comprehensive review

Quantum walks, the quantum mechanical counterpart of classical random walks, is an advanced tool for building quantum algorithms that has been recently shown to constitute a universal model of quantum computation. Quantum walks is now a solid field of research of quantum computation full of exciting open problems for physicists, computer scientists, mathematicians and engineers. In this paper we review theoretical advances on the foundations of both discrete- and continuous-time quantum walks, together with the role that randomness plays in quantum walks, the connections between the mathematical models of coined discrete quantum walks and continuous quantum walks, the quantumness of quantum walks, a summary of papers published on discrete quantum walks and entanglement as well as a succinct review of experimental proposals and realizations of discrete-time quantum walks. Furthermore, we have reviewed several algorithms based on both discrete- and continuous-time quantum walks as well as a most important result: the computational universality of both continuous- and discrete- time quantum walks.Comment: Paper accepted for publication in Quantum Information Processing Journa