249 research outputs found
Polar distortions in hydrogen bonded organic ferroelectrics
Although ferroelectric compounds containing hydrogen bonds were among the
first to be discovered, organic ferroelectrics are relatively rare. The
discovery of high polarization at room temperature in croconic acid [Nature
\textbf{463}, 789 (2010)] has led to a renewed interest in organic
ferroelectrics. We present an ab-initio study of two ferroelectric organic
molecular crystals, 1-cyclobutene-1,2-dicarboxylic acid (CBDC) and
2-phenylmalondialdehyde (PhMDA). By using a distortion-mode analysis we shed
light on the microscopic mechanisms contributing to the polarization, which we
find to be as large as 14.3 and 7.0\,C/cm for CBDC and PhMDA
respectively. These results suggest that it may be fruitful to search among
known but poorly characterized organic compounds for organic ferroelectrics
with enhanced polar properties suitable for device applications.Comment: Submitte
Integrated environmental risk assessment of major accidents in the transport of hazardous substances
At present, the environmental risk assessment of major accidents is mainly carried out for stationary risk sources. Only marginal attention is paid to mobile risk sources, while the currently available methodologies require a relevant expertise and time for their application, which is only partially possible in most scenarios. In the present study, an integrated approach to environmental risk assessment in the transport of hazardous substances (iTRANSRISK) was developed. The approach proposed is based on the principle of index-based assessment of leakage scenarios involving toxic and flammable substances during transport, in the context of indexing environmental vulnerability. The key point of the method is the conversion of local-specific data concerning the risk potential of the transported substance, the consequences and the probability of a major accident, and environmental vulnerability assessment into a single entity. The created integral approach is proposed for the needs of carriers of the hazardous substances and the state administration bodies. The proposed approach is determined for the screening risk assessment at the beginning of the process of the planning a suitable transport routes and the results are for information only. An example of the application of the iTRANSRISK integrated approach is demonstrated considering an explosion scenario following a propane tanker leak (18 t) in a forested area, with moderately susceptible soils and no surface water or groundwater affected
Mathematical and computer modeling of electro-optic systems using a generic modeling approach
The conventional approach to modelling electro-optic sensor systems is to develop separate models for individual systems or classes of system, depending on the detector technology employed in the sensor and the application. However, this ignores commonality in design and in components of these systems. A generic approach is presented for modelling a variety of sensor systems operating in the infrared waveband that also allows systems to be modelled with different levels of detail and at different stages of the product lifecycle. The provision of different model types (parametric and image-flow descriptions) within the generic framework can allow valuable insights to be gained
Theoretical current-voltage characteristics of ferroelectric tunnel junctions
We present the concept of ferroelectric tunnel junctions (FTJs). These
junctions consist of two metal electrodes separated by a nanometer-thick
ferroelectric barrier. The current-voltage characteristics of FTJs are analyzed
under the assumption that the direct electron tunneling represents the dominant
conduction mechanism. First, the influence of converse piezoelectric effect
inherent in ferroelectric materials on the tunnel current is described. The
calculations show that the lattice strains of piezoelectric origin modify the
current-voltage relationship owing to strain-induced changes of the barrier
thickness, electron effective mass, and position of the conduction-band edge.
Remarkably, the conductance minimum becomes shifted from zero voltage due to
the piezoelectric effect, and a strain-related resistive switching takes place
after the polarization reversal in a ferroelectric barrier. Second, we analyze
the influence of the internal electric field arising due to imperfect screening
of polarization charges by electrons in metal electrodes. It is shown that, for
asymmetric FTJs, this depolarizing-field effect also leads to a considerable
change of the barrier resistance after the polarization reversal. However, the
symmetry of the resulting current-voltage loop is different from that
characteristic of the strain-related resistive switching. The crossover from
one to another type of the hysteretic curve, which accompanies the increase of
FTJ asymmetry, is described taking into account both the strain and
depolarizing-field effects. It is noted that asymmetric FTJs with dissimilar
top and bottom electrodes are preferable for the non-volatile memory
applications because of a larger resistance on/off ratio.Comment: 14 pages, 8 figure
Recommended from our members
Characterisation of development and electrophysiological mechanisms underlying rhythmicity of the avian lymph heart
Despite significant advances in tissue engineering such as the use of scaffolds, bioreactors and pluripotent stem cells, effective cardiac tissue engineering for therapeutic purposes has remained a largely intractable challenge. For this area to capitalise on such advances, a novel approach may be to unravel the physiological mechanisms underlying the development of tissues that exhibit rhythmic contraction yet do not originate from the cardiac lineage. Considerable attention has been focused on the physiology of the avian lymph heart, a discrete organ with skeletal muscle origins yet which displays pacemaker properties normally only found in the heart. A functional lymph heart is essential for avian survival and growth in ovo. The histological nature of the lymph heart is similar to skeletal muscle although molecular and bioelectrical characterisation during development to assess mechanisms that contribute towards lymph heart contractile rhythmicity have not been undertaken. A better understanding of these processes may provide exploitable insights for therapeutic rhythmically contractile tissue engineering approaches in this area of significant unmet clinical need. Here, using molecular and electrophysiological approaches, we describe the molecular development of the lymph heart to understand how this skeletal muscle becomes fully functional during discrete in ovo stages of development. Our results show that the lymph heart does not follow the normal transitional programme of myogenesis as documented in most skeletal muscle, but instead develops through a concurrent programme of precursor expansion, commitment to myogenesis and functional differentiation which offers a mechanistic explanation for its rapid development. Extracellular electrophysiological field potential recordings revealed that the peak-to-peak amplitude of electrically evoked local field potentials elicited from isolated lymph heart were significantly reduced by treatment with carbachol; an effect that could be fully reversed by atropine. Moreover, nifedipine and cyclopiazonic acid both significantly reduced peak-to-peak local field potential amplitude. Optical recordings of lymph heart showed that the organ’s rhythmicity can be blocked by the HCN channel blocker, ZD7288; an effect also associated with a significant reduction in peak-to-peak local field potential amplitude. Additionally, we also show that isoforms of HCN channels are expressed in avian lymph heart. These results demonstrate that cholinergic signalling and L-type Ca2+ channels are important in excitation and contraction coupling, while HCN channels contribute to maintenance of lymph heart rhythmicity
Advances in ab-initio theory of Multiferroics. Materials and mechanisms: modelling and understanding
Within the broad class of multiferroics (compounds showing a coexistence of
magnetism and ferroelectricity), we focus on the subclass of "improper
electronic ferroelectrics", i.e. correlated materials where electronic degrees
of freedom (such as spin, charge or orbital) drive ferroelectricity. In
particular, in spin-induced ferroelectrics, there is not only a {\em
coexistence} of the two intriguing magnetic and dipolar orders; rather, there
is such an intimate link that one drives the other, suggesting a giant
magnetoelectric coupling. Via first-principles approaches based on density
functional theory, we review the microscopic mechanisms at the basis of
multiferroicity in several compounds, ranging from transition metal oxides to
organic multiferroics (MFs) to organic-inorganic hybrids (i.e. metal-organic
frameworks, MOFs)Comment: 22 pages, 9 figure
- …