Synthesis, Structure and Transport Properties of Novel Chlorine-Doped Perovskite Based on Ba2CaNbO5.5

2018 ◽  
Vol 917 ◽  
pp. 88-92
Author(s):  
Nataliia Tarasova ◽  
Irina Animitsa ◽  
Anzhelika Galisheva

The chlorine-doped complex oxide Ba2CaNbO5.475Cl0.05based on barium calcium niobate was synthesized using the solid state method. It was found that the introduction of chloride ions leads to the increase of the cell volume. Structure and electrical properties have been investigated. Electrical conductivities were measured by varying the temperature in dry (pH2O=3.5·10-5atm) and wet (pH2O=2·10-2atm) air. The composition Ba2CaNbO5.475Cl0.05is capable to dissociative dissolution of water vapor and can exhibit proton transport. Chlorine doping increases the conductivity of matrix compound Ba2CaNbO5.5, the difference between un-and chlorine-doped samples is up to one order of magnitude at low temperatures.

2011 ◽  
Vol 1298 ◽  
Author(s):  
Hiroshi Oka ◽  
Yosuke Yamazaki ◽  
Hiroshi Kinoshita ◽  
Naoyuki Hashimoto ◽  
Somei Ohnuki ◽  
...  

ABSTRACTOxide dispersion strengthened austenitic stainless steel (ODS316), which is based on advanced SUS316 steel, has been developed by mechanically alloying and hot extrusion. Hafnium and titanium were added to make a fine distribution of oxide particles. The stability of oxide particles dispersed in ODS316 under irradiation was evaluated after 250 keV Fe+ irradiation up to high doses at 500 °C. TEM observation and EDS analysis indicated that fine complex oxide particles with Y, Hf and Ti were mainly dispersed in the matrix. There are no significant changes in the distribution and the size of oxide particles after irradiation. It was also revealed that the constitution ratio of Ti in complex oxide appeared to be decreased after irradiation. This diffuse-out of Ti during irradiation could be explained by the difference in oxide formation energy among alloying elements.


The present paper describes an investigation of diffusion in the solid state. Previous experimental work has been confined to the case in which the free energy of a mixture is a minimum for the single-phase state, and diffusion decreases local differences of concentration. This may be called ‘diffusion downhill’. However, it is possible for the free energy to be a minimum for the two-phase state; diffusion may then increase differences of concentration; and so may be called ‘diffusion uphill’. Becker (1937) has proposed a simple theoretical treatment of these two types of diffusion in a binary alloy. The present paper describes an experimental test of this theory, using the unusual properties of the alloy Cu 4 FeNi 3 . This alloy is single phase above 800° C and two-phase at lower temperatures, both the phases being face-centred cubic; the essential difference between the two phases is their content of copper. On dissociating from one phase into two the alloy develops a series of intermediate structures showing striking X-ray patterns which are very sensitive to changes of structure. It was found possible to utilize these results for a quantitative study of diffusion ‘uphill’ and ‘downhill’ in the alloy. The experimental results, which can be expressed very simply, are in fair agreement with conclusions drawn from Becker’s theory. It was found that Fick’s equation, dc / dt = D d2c / dx2 , can, within the limits of error, be applied in all cases, with the modification that c denotes the difference of the measured copper concentration from its equilibrium value. The theory postulates that D is the product of two factors, of which one is D 0f the coefficient of diffusion that would be measured if the alloy were an ideal solid solution. The theory is able to calculate D/D 0 , if only in first approximation, and the experiments confirm this calculation. It was found that in most cases the speed of diffusion—‘uphill’ or ‘downhill’—has the order of magnitude of D 0 . * Now with British Electrical Research Association.


2014 ◽  
Vol 790-791 ◽  
pp. 97-102
Author(s):  
Zoltán Erdélyi ◽  
Zoltán Balogh ◽  
Gabor L. Katona ◽  
Dezső L. Beke

The critical nucleus size—above which nuclei grow, below dissolve—during diffusion controlled nucleation in binary solid-solid phase transformation process is calculated using kinetic Monte Carlo (KMC). If atomic jumps are slower in an A-rich nucleus than in the embedding B-rich matrix, the nucleus traps the A atoms approaching its surface. It doesn’t have enough time to eject A atoms before new ones arrive, even if it would be favourable thermodynamically. In this case the critical nucleus size can be even by an order of magnitude smaller than expected from equilibrium thermodynamics or without trapping. These results were published in [Z. Erdélyi et al., Acta Mater. 58 (2010) 5639]. In a recent paper M. Leitner [M. Leitner, Acta Mater. 60 (2012) 6709] has questioned our results based on the arguments that his simulations led to different results, but he could not point out the reason for the difference. In this paper we summarize our original results and on the basis of recent KMC and kinetic mean field (KMF) simulations we show that Leitner’s conclusions are not valid and we confirm again our original results.


1966 ◽  
Vol 21 (9) ◽  
pp. 1377-1384
Author(s):  
A. V. Willi

Kinetic carbon-13 and deuterium isotope effects are calculated for the SN2 reaction of CH3I with CN-. The normal vibrational frequencies of CH3I, the transition state I · · · CH3 · · · CN, and the corresponding isotope substituted reactants and transition states are evaluated from the force constants by solving the secular equation on an IBM 7094 computer.Values for 7 force constants of the planar CH3 moiety in the transition state (with an sp2 C atom) are obtained by comparison with suitable stable molecules. The stretching force constants related to the bonds being broken or newly formed (fCC, fCC and the interaction between these two stretches, /12) are chosen in such a way that either a zero or imaginary value for νʟ≠ will result. Agreement between calculated and experimental methyl-C13 isotope effects (k12/ k13) can be obtained only in sample calculations with sufficiently large values of f12 which lead to imaginary νʟ≠ values. Furthermore, the difference between fCI and fCC must be small (in the order of 1 mdyn/Å). The bending force constants, fHCI and fHCC, exert relatively little influence on k12/k13. They are important for the D isotope effect, however. As soon as experimental data on kH/kD are available it will be possible to derive a value for fHCC in the transition state if fHCI is kept constant at 0.205 mdynA, and if fCI, fCC and f12 are held in a reasonable order of magnitude. There is no agreement between experimental and calculated cyanide-C13 isotope effects. Possible explanations are discussed. — Since fCI and fCC cannot differ much it must be concluded that the transition state is relatively “symmetric”, with approximately equal amounts of bond making and bond breaking.


2018 ◽  
Vol 15 (9) ◽  
pp. 2909-2930 ◽  
Author(s):  
Sebastian Lienert ◽  
Fortunat Joos

Abstract. A dynamic global vegetation model (DGVM) is applied in a probabilistic framework and benchmarking system to constrain uncertain model parameters by observations and to quantify carbon emissions from land-use and land-cover change (LULCC). Processes featured in DGVMs include parameters which are prone to substantial uncertainty. To cope with these uncertainties Latin hypercube sampling (LHS) is used to create a 1000-member perturbed parameter ensemble, which is then evaluated with a diverse set of global and spatiotemporally resolved observational constraints. We discuss the performance of the constrained ensemble and use it to formulate a new best-guess version of the model (LPX-Bern v1.4). The observationally constrained ensemble is used to investigate historical emissions due to LULCC (ELUC) and their sensitivity to model parametrization. We find a global ELUC estimate of 158 (108, 211) PgC (median and 90 % confidence interval) between 1800 and 2016. We compare ELUC to other estimates both globally and regionally. Spatial patterns are investigated and estimates of ELUC of the 10 countries with the largest contribution to the flux over the historical period are reported. We consider model versions with and without additional land-use processes (shifting cultivation and wood harvest) and find that the difference in global ELUC is on the same order of magnitude as parameter-induced uncertainty and in some cases could potentially even be offset with appropriate parameter choice.


2020 ◽  
Author(s):  
Albert C. Aragonès ◽  
Katrin F. Domke

Abstract Progress in molecular electronics (ME) is largely based on improved understanding of the properties of single molecules (SM) trapped for seconds or longer to enable their detailed characterization. We present a plasmon-supported break-junction (PBJ) platform to significantly increase the lifetime of SM junctions of 1,4-benzendithiol (BDT) without the need for chemical modification of molecule or electrode. Moderate far-field power densities of ca. 11 mW/µm2 lead to a >10-fold increase in minimum lifetime compared to laser-OFF conditions. The nearfield trapping efficiency is twice as large for bridge-site contact compared to hollow-site geometry, which can be attributed to the difference in polarizability. Current measurements and tip-enhanced Raman spectra confirm that native structure and contact geometry of BDT are preserved during the PBJ experiment. By providing a non-invasive pathway to increase short lifetimes of SM junctions, PBJ is a valuable approach for ME, paving the way for improved SM sensing and recognition platforms.


2016 ◽  
Author(s):  
Ghislain Picard ◽  
Quentin Libois ◽  
Laurent Arnaud

Abstract. Ice is a highly transparent material in the visible. According to the most widely used database (Warren and Brandt, 2008; IA2008), the ice absorption coefficient reaches values lower than 10−3 m−1 around 400 nm. These values were obtained from a radiance profile measured in a single snow layer at Dome C in Antarctica. We reproduced this experiment using a fiber optics inserted in the snow to record 56 profiles from which 70 homogeneous layers were identified. Applying the same estimation method on every layer yields 70 ice absorption spectra with a significant variability and overall larger than IA2008 by one order of magnitude. We devise another estimation method based on Bayesian inference. It reduces the statistical variability and confirms the higher absorption, around 2 × 10−2 m−1 near the minimum at 440 nm. We explore potential instrumental artifacts by developing a 3D radiative transfer model able to explicitly account for the presence of the fiber in the snow. The simulation results show that the radiance profile is indeed perturbed by the fiber intrusion but the error on the ice absorption estimate is not larger than a factor 2. This is insufficient to explain the difference between our new estimate and IA2008. Nevertheless, considering the number of profiles acquired for this study and other estimates from the Antarctic Muon and Neutrino Detector Array (AMANDA), we estimate that ice absorption values around 10−2 m−1 at the minimum are more likely than under 10−3 m−1. We provide a new estimate in the range 400–600 nm for future modeling of snow, cloud, and sea-ice optical properties. Most importantly we recommend that modeling studies take into account the large uncertainty of the ice absorption coefficient in the visible.


2010 ◽  
Vol 2010 ◽  
pp. 1-9 ◽  
Author(s):  
A. Sedky ◽  
E. El-Suheel

A comparative study between effects of Mn and Al on the properties of ZnO varistor sintered at 1200 is investigated by XRD, SEM hardness, and I-V measurements. Although both Mn and Al do not influence the well-known peaks related to wurtzite structure of ZnO ceramics, some other unknown peaks could be formed at higher doping content (). Also, the shape and size of grains are clearly different for both dopants. Average crystalline diameters, deduced from XRD analysis, are between 42 nm and 62 nm, which are 50 times lower than those obtained from SEM micrographs, while the oxygen vacancies deduced from EDAX analysis, are gradually decreased by doping content for both dopants. Interestingly, the values of breakdown field, nonlinear coefficient and barrier height are found to be higher in Mn samples as compared to Al samples, while the opposite is reported for leakage currents, hardness, and electrical conductivities. The values of are changed from 2.67 V/cm to 41.67 V/cm for Al, and from 1928 V/cm to 6571 V/cm for Mn. The conductivity of Al samples is higher than that of ZnO, and it is nearly (103–105) times the conductivity of Mn samples. These results are discussed in terms of the difference of magnetic moment and valence state between these two additives.


2016 ◽  
Vol 2016 ◽  
pp. 1-8 ◽  
Author(s):  
Xiang-Xiong Zhang ◽  
Min Chen

Manipulating the ice nucleation ability of liquid water by solid surface is of fundamental importance, especially in the design of icephobic surfaces. In this paper, the icephobicity of graphene surfaces functionalized by sodium ions, chloride ions, or methane molecules is investigated using molecular dynamics simulations. The icephobicity of the surface is evaluated by the freezing temperature. The freezing temperature on surface functionalized by methane molecules decreases at first and then increases as a function of the number groups, while the freezing temperature increases monotonically as a function of the number groups upon surfaces functionalized by sodium ions or chloride ions. The difference can be partially explained by the potential morphologies near the surfaces. Additionally, the validity of indicating the ice nucleation ability of water molecules using the number of six rings in the system is examined. Current study shows that the ice nucleation upon functionalized surfaces is inhibited when compared with smooth graphene substrate, which proves the feasibility of changing the icephobicity of the surfaces by functionalizing with certain ions or molecules.


1998 ◽  
Vol 188 ◽  
pp. 111-111
Author(s):  
Walter H.G. Lewin

The bursts from GRO J1744-28 are due to accretion instabilities as is the case for type II bursts in the Rapid Burster. Both sources are transient Low-Mass X-ray Binaries, and they both exhibit unusual quasi-periodic-oscillations in their persistent X-ray flux following several (not all) of the type II bursts. There are important differences too. GRO J1744-28 is an X-ray pulsar; the Rapid Burster is not. In addition, the pattern of bursts and the burst peak luminosities are very different for the two sources. Time intervals between the rapidly repetitive bursts in the Rapid Burster can be as short as 10 sec, in 1744-28 they are as short as 200 sec. The peak luminosities of the bursts from GRO J1744-28 can exceed the Eddington luminosity (for assumed isotropic emission) by one to two orders of magnitude. The QPO centroid frequencies (see above) differ by an order of magnitude (~0.04 Hz for the Rapid Burster, and 0.3 Hz for GRO J1744-28). The difference in behavior p obably lies in the difference in the magnetic dipole field strength of the accreting neutron stars (for GRO J1744-28 it is almost certainly much higher than for the Rapid Burster). It remains puzzling, why GRO J1744-28 and the Rapid Burster are the only known sources which exhibit rapidly repetitive type II bursts.


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