Charge transfer electrostatic model of compositional order in perovskite alloys

We introduce an electrostatic model including charge transfer, which is shown to account for the observed B-site ordering in Pb-based perovskite alloys. The model allows charge transfer between A-sites and is a generalization of Bellaiche and Vanderbilt's purely electrostatic model. The large covalency of Pb^{2+} compared to Ba^{2+} is modeled by an environment dependent effective A-site charge. Monte Carlo simulations of this model successfully reproduce the long range compositional order of both Pb-based and Ba-based complex A(BB^{'}B^{''})O_3 perovskite alloys. The models are also extended to study systems with A-site and B-site doping, such as (Na_{1/2}La_{1/2})(Mg_{1/3}Nb_{2/3})O_3, (Ba_{1-x}La_{x})(Mg_{(1+x)/3}Nb_{(2-x)/3})O_3 and (Pb_{1-x}La_{x})(Mg_{(1+x)/3}Ta_{(2-x)/3})O_3. General trends are reproduced by purely electrostatic interactions, and charge transfer effects indicate that local structural relaxations can tip the balance between different B-site orderings in Pb based materials.Comment: 15 pages, 6 figure

CVM studies on the atomic ordering in complex perovskite alloys

The atomic ordering in complex perovskite alloys is investigated by the cluster variation method (CVM). For the 1/3\{111\}-type ordered structure, the order-disorder phase transition is the first order, and the order parameter of the 1:2 complex perovskite reaches its maximum near x=0.25. For the 1/2\{111\}-type ordered structure, the ordering transition is the second order. Phase diagrams for both ordered structures are obtained. The order-disorder line obeys the linear law.Comment: 10 pages, 6 figure

The application of numerical debris flow modelling for the generation of physical vulnerability curves

For a quantitative assessment of debris flow risk, it is essential to consider not only the hazardous process itself but also to perform an analysis of its consequences. This should include the estimation of the expected monetary losses as the product of the hazard with a given magnitude and the vulnerability of the elements exposed. A quantifiable integrated approach of both hazard and vulnerability is becoming a required practice in risk reduction management. This study aims at developing physical vulnerability curves for debris flows through the use of a dynamic run-out model. Dynamic run-out models for debris flows are able to calculate physical outputs (extension, depths, velocities, impact pressures) and to determine the zones where the elements at risk could suffer an impact. These results can then be applied to consequence analyses and risk calculations. On 13 July 2008, after more than two days of intense rainfall, several debris and mud flows were released in the central part of the Valtellina Valley (Lombardy Region, Northern Italy). One of the largest debris flows events occurred in a village called Selvetta. The debris flow event was reconstructed after extensive field work and interviews with local inhabitants and civil protection teams. The Selvetta event was modelled with the FLO-2D program, an Eulerian formulation with a finite differences numerical scheme that requires the specification of an input hydrograph. The internal stresses are isotropic and the basal shear stresses are calculated using a quadratic model. The behaviour and run-out of the flow was reconstructed. The significance of calculated values of the flow depth, velocity, and pressure were investigated in terms of the resulting damage to the affected buildings. The physical damage was quantified for each affected structure within the context of physical vulnerability, which was calculated as the ratio between the monetary loss and the reconstruction value. Three different empirical vulnerability curves were obtained, which are functions of debris flow depth, impact pressure, and kinematic viscosity, respectively. A quantitative approach to estimate the vulnerability of an exposed element to a debris flow which can be independent of the temporal occurrence of the hazard event is presented

Electrostatic model of atomic ordering in complex perovskite alloys

We present a simple ionic model which successfully reproduces the various types of compositional long-range order observed in a large class of complex insulating perovskite alloys. The model assumes that the driving mechanism responsible for the ordering is simply the electrostatic interaction between the different ionic species. A possible new explanation for the anomalous long-range order observed in some Pb relaxor alloys, involving the proposed existence of a small amount of Pb^4+ on the B sublattice, is suggested by an analysis of the model.Comment: 4 pages, two-column style with 1 postscript figure embedded. Uses REVTEX and epsf macros. Also available at http://www.physics.rutgers.edu/~dhv/preprints/index.html#lb_orde

Simultaneous detection of Apple mosaic virus in cultivated hazelnuts by one-tube RT-PCR

The most economically damaging ilarvirus affecting hazelnut on a worldwide scale is the related apple mosaic virus (ApMV). Attempts were made to isolate the virus RNA from hazelnut tissues using different extraction methods. The most suitable extraction method that could detect the virus occurring naturally in hazelnut by reverse-transcription polymerase chain reaction (RT-PCR) methodology was selected. RT-PCR was applied successfully using flower, husk and leaf tissues. The most suitable extraction method and hazelnut tissues determined were sensitive, simple, rapid and reliable for simultaneous detection of ApMV in hazelnut tissues. To our knowledge, this is the first report of the simultaneous detection of the virus by RT-PCR, an alternativedetection of ApMV in hazelnut hosts

Compositional Inversion Symmetry Breaking in Ferroelectric Perovskites

Ternary cubic perovskite compounds of the form A_(1/3)A'_(1/3)A''_(1/3)BO_3 and AB_(1/3)B'_(1/3)B''_(1/3)O_3, in which the differentiated cations form an alternating series of monolayers, are studied using first-principles methods. Such compounds are representative of a possible new class of materials in which ferroelectricity is perturbed by compositional breaking of inversion symmetry. For isovalent substitution on either sublattice, the ferroelectric double-well potential is found to persist, but becomes sufficiently asymmetric that minority domains may no longer survive. The strength of the symmetry breaking is enormously stronger for heterovalent substitution, so that the double-well behavior is completely destroyed. Possible means of tuning between these behaviors may allow for the optimization of resulting materials properties.Comment: 4 pages, two-column style with 3 postscript figures embedded. Uses REVTEX and epsf macros. Also available at http://www.physics.rutgers.edu/~dhv/preprints/index.html#sai_is

Heterovalent and A-atom effects in A(B'B'')O3 perovskite alloys

Using first-principles supercell calculations, we have investigated energetic, structural and dielectric properties of three different A(B'B'')O_3 perovskite alloys: Ba(Zn_{1/3}Nb_{2/3})O_3 (BZN), Pb(Zn_{1/3}Nb_{2/3})O_3 (PZN), and Pb(Zr_{1/3}Ti_{2/3})O_3 (PZT). In the homovalent alloy PZT, the energetics are found to be mainly driven by atomic relaxations. In the heterovalent alloys BZN and PZN, however, electrostatic interactions among B' and B'' atoms are found to be very important. These electrostatic interactions are responsible for the stabilization of the observed compositional long-range order in BZN. On the other hand, cell relaxations and the formation of short Pb--O bonds could lead to a destabilization of the same ordered structure in PZN. Finally, comparing the dielectric properties of homovalent and heterovalent alloys, the most dramatic difference arises in connection with the effective charges of the B' atom. We find that the effective charge of Zr in PZT is anomalous, while in BZN and PZN the effective charge of Zn is close to its nominal ionic value.Comment: 7 pages, two-column style with 2 postscript figures embedded. Uses REVTEX and epsf macros. Also available at http://www.physics.rutgers.edu/~dhv/preprints/index.html#lb_he

Neutron scattering study of PbMg1/3_{1/3}Ta2/3_{2/3}O3_3 and BaMg1/3_{1/3}Ta2/3_{2/3}O3_3 complex perovskites

Neutron scattering investigations were carried out in PbMg$_{1/3}$Ta$_{2/3}$O$_3$ and BaMg$_{1/3}$Ta$_{2/3}$O$_3$ complex perovskites. The crystal structure of both compounds does not show any phase transition in the temperature range 1.5 -- 730 K. Whereas the temperature dependence of the lattice parameter of BaMg$_{1/3}$Ta$_{2/3}$O$_3$ follows the classical expectations, the lattice parameter of relaxor ferroelectric PbMg$_{1/3}$Ta$_{2/3}$O$_3$ exhibits anomalies. One of these anomalies is observed in the same temperature range as the peak in the dielectric susceptibility. We find that in PbMg$_{1/3}$Ta$_{2/3}$O$_3$, lead ions are displaced from the ideal positions in the perovskite structure at all temperatures. Consequently short-range order is present. This induces strong diffuse scattering with an anisotropic shape in wavevector space. The temperature dependences of the diffuse neutron scattering intensity and of the amplitude of the lead displacements are similar

Effect of plant growth regulators on in vitro shoot multiplication of Amygdalus communis L. cv. Yaltsinki

An efficient protocol was established for in vitro shoot multiplication from apical shoot tips derived from mature trees of almond (Amygdalus communis L.) cultivars, Yaltsinki. Explants were cultured on Murashige and Skoog (1962) (MS) medium containing various concentrations of 6-benzyladenin (BA) and kinetin (kin) for shoot multiplication. Shoot multiplication was best achieved from explant on MS medium containing 30 gl-1 sucrose, 7 gl-1 agar and 1.0 mgl-1 BA. This amount of BA (1.0 mgl-1) gave the best multiple shoot formation response with an average of 16.10 shoots per explant. In addition, shoots were cultured on the media containing 1.0 mgl-1 BA and kin combined with three different auxins (0.25 and 0.5 mgl-1 of IAA, IBA and NAA) separately. It was noted that 1.0 mgl-1 BA and kin combinated with NAA had inhibitory effect on new shoot formation and no shoot formation was induced. However, explants cultivated on medium containing 1.0 mgl-1 BA and 0.5 mgl-1 IAA resulted in 11.25 shoots per explant. The effect of four different sucrose concentrations (20, 30, 40, 50 gl-1) on the multiplication of shoots was also investigated. The best shoot multiplication was obtained in MS media containing 30 gl-1 sucrose with an average of 15.40 shoots per explant