1,435 research outputs found

    Large ferroelectric polarization in the new double perovskite NaLaMnWO6_{6} induced by non-polar instabilities

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    Based on density functional theory calculations and group theoretical analysis, we have studied NaLaMnWO6_{6} compound which has been recently synthesized [Phys. Rev. B 79, 224428 (2009)] and belongs to the AABBO6AA'BB'{\rm O}_{6} family of double perovskites. At low temperature, the structure has monoclinic P21P2_{1} symmetry, with layered ordering of the Na and La ions and rocksalt ordering of Mn and W ions. The Mn atoms show an antiferromagnetic (AFM) collinear spin ordering, and the compound has been reported as a potential multiferroic. By comparing the low symmetry structure with a parent phase of P4/nmmP4/nmm symmetry, two distortion modes are found dominant. They correspond to MnO6_{6} and WO6_{6} octahedron \textit{tilt} modes, often found in many simple perovskites. While in the latter these common tilting instabilities yield non-polar phases, in NaLaMnWO6_{6} the additional presence of the AA-AA^{'} cation ordering is sufficient to make these rigid unit modes as a source of the ferroelectricity. Through a trilinear coupling with the two unstable tilting modes, a significant polar distortion is induced, although the system has no intrinsic polar instability. The calculated electric polarization resulting from this polar distortion is as large as \sim 16 μC/cm2{\mu}{\rm C/cm^{2}}. Despite its secondary character, this polarization is coupled with the dominant tilting modes and its switching is bound to produce the switching of one of two tilts, enhancing in this way a possible interaction with the magnetic ordering. The transformation of common non-polar purely steric instabilities into sources of ferroelectricity through a controlled modification of the parent structure, as done here by the cation ordering, is a phenomenon to be further explored.Comment: Physical Chemistry Chemical physics (in press

    Valuable product production from wood mill effluents

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    Fibreboard production is one of the most important industrial activities in Galicia (Spain). Great amounts of wastewater are generated, with properties depending on the type of wood, treatment process, final product and water reusing, among others. These effluents are characterized by a high chemical oxygen demand (COD), low pH and nutrients limitation. Aerobic and anaerobic processes have been used for their treatment. Presently, bioplastics production (mainly polyhydroxyalkanoates or PHA) from wastewaters with mixed cultures is being studied. Substrate requirements for these processes are a high organic matter content and low nutrient concentration. Therefore, wood mill effluents could be a suitable feedstock. PHA production from wastewaters is carried out in three steps. First, complex organic matter is converted into volatile fatty acids (VFA) through acidogenic fermentation. Then, VFA are used as substrate in an aerobic sequencing batch reactor (SBR), in which the enrichement of PHA producing bacteria from a mixed culture is favoured. Finally, the sludge from the SBR is fed with a pulse containing high VFA concentrations, resulting in PHA accumulation inside the cells. In this work, the possibility of applying this process to wood mill effluents is proposed. An acidification percentage of 37% and a storage yield (YSTO) of 0.23 Cmmol/Cmmol were obtained

    Magnetic superspace groups and symmetry constraints in incommensurate magnetic phases

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    Although superspace formalism has become the standard approach for the analysis of structurally modulated crystals, it has remained during the last thirty years almost unexplored as a practical tool to deal with magnetic incommensurate structures. This situation has recently changed with the development of new computer tools for magnetic phases based on this formalism. In this context we show here that, as in the case of nonmagnetic incommensurate systems, the concept of superspace symmetry provides a simple, efficient and systematic way to characterize the symmetry and rationalize the structural and physical properties of incommensurate magnetic materials. The method introduces significant advantages over the most commonly employed method of representation analysis for the description of the magnetic structure of a crystal. But, more importantly, in contrast with that method, it consistently yields and classifies all degrees of freedom of the system. The knowledge of the superspace group of an incommensurate magnetic material allows to predict its crystal tensor properties and to rationalize its phase diagram, previous to any appeal to microscopic models or mechanisms. This is especially relevant when the properties of incommensurate multiferroics are being studied. We present first a summary of the superspace method under a very practical viewpoint particularized to magnetic modulations. Its relation with the usual representation analysis is then analyzed in detail, with the derivation of important general rules for magnetic modulations with a single propagation vector. The power and efficiency of the formalism is illustrated with various selected examples, including some multiferroic materials

    Bioplastic production using wood mill effluents as feedstock

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    [Abstract] Fibreboard production is one of the most important industrial activities in Galicia (Spain). Great amounts of wastewater are generated, with properties depending on the type of wood, treatment process, final product and water reusing, among others. These effluents are characterized by a high chemical oxygen demand, low pH and nutrients limitation. Although anaerobic digestion is one of the most suitable processes for the treatment, lately bioplastics production (mainly polyhydroxyalkanoates) from wastewaters with mixed cultures is being evaluated. Substrate requirements for these processes consist of high organic matter content and low nutrient concentration. Therefore, wood mill effluents could be a suitable feedstock. In this work, the possibility of producing bioplastics from to wood mill effluents is evaluated. First, wood mill effluent was converted to volatile fatty acids in an acidogenic reactor operated at two different hydraulic retention times of 1 and 1.5 d. The acidification percentage obtained was 37% and 42%, respectively. Then, aerobic batch assays were performed using fermented wood mill effluents obtained at different hydraulic retention times. Assays were developed using different cultures as inoculums. The maximum storage yield of 0.57 Cmmol/Cmmol was obtained when when the culture was enriched on a synthetic media

    Qualitative characterization of healthcare wastes

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    The biological hazard inherent in the clinical wastes should be considered during the management and treatment process as well as the disposal into the environment. In this chapter, the risks associated with the clinical wastes as well as the management of these wastes are discussed. The chapter focused on reviewing the types of healthcare wastes generated from hospitals and clinics as well as the regulations and management practices used for these wastes. Moreover, the health risk associated with the infectious agents which have the potential to be transmitted into the environment. It has appeared that the clinical wastes represent real hazards for the human health and the environment if they were not managed properly

    Phonons from neutron powder diffraction

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    The spherically averaged structure function \soq obtained from pulsed neutron powder diffraction contains both elastic and inelastic scattering via an integral over energy. The Fourier transformation of \soq to real space, as is done in the pair density function (PDF) analysis, regularizes the data, i.e. it accentuates the diffuse scattering. We present a technique which enables the extraction of off-center phonon information from powder diffraction experiments by comparing the experimental PDF with theoretical calculations based on standard interatomic potentials and the crystal symmetry. This procedure (dynamics from powder diffraction(DPD)) has been successfully implemented for two systems, a simple metal, fcc Ni, and an ionic crystal, CaF2_{2}. Although computationally intensive, this data analysis allows for a phonon based modeling of the PDF, and additionally provides off-center phonon information from powder neutron diffraction

    Finite strain Landau theory of high pressure phase transformations

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    The properties of materials near structural phase transitions are often successfully described in the framework of Landau theory. While the focus is usually on phase transitions, which are induced by temperature changes approaching a critical temperature T-c, here we will discuss structural phase transformations driven by high hydrostatic pressure, as they are of major importance for understanding processes in the interior of the earth. Since at very high pressures the deformations of a material are generally very large, one needs to apply a fully nonlinear description taking physical as well as geometrical nonlinearities (finite strains) into account. In particular it is necessary to retune conventional Landau theory to describe such phase transitions. In Troster et al (2002 Phys. Rev. Lett. 88 55503) we constructed a Landau-type free energy based on an order parameter part, an order parameter-(finite) strain coupling and a nonlinear elastic term. This model provides an excellent and efficient framework for the systematic study of phase transformations for a wide range of materials up to ultrahigh pressures

    Stochastic Resonance of Ensemble Neurons for Transient Spike Trains: A Wavelet Analysis

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    By using the wavelet transformation (WT), we have analyzed the response of an ensemble of NN (=1, 10, 100 and 500) Hodgkin-Huxley (HH) neurons to {\it transient} MM-pulse spike trains (M=13M=1-3) with independent Gaussian noises. The cross-correlation between the input and output signals is expressed in terms of the WT expansion coefficients. The signal-to-noise ratio (SNR) is evaluated by using the {\it denoising} method within the WT, by which the noise contribution is extracted from output signals. Although the response of a single (N=1) neuron to sub-threshold transient signals with noises is quite unreliable, the transmission fidelity assessed by the cross-correlation and SNR is shown to be much improved by increasing the value of NN: a population of neurons play an indispensable role in the stochastic resonance (SR) for transient spike inputs. It is also shown that in a large-scale ensemble, the transmission fidelity for supra-threshold transient spikes is not significantly degraded by a weak noise which is responsible to SR for sub-threshold inputs.Comment: 20 pages, 4 figure
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