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

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

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

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

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

A Survey of Social Network Forensics

Social networks in any form, specifically online social networks (OSNs), are becoming a part of our everyday life in this new millennium especially with the advanced and simple communication technologies through easily accessible devices such as smartphones and tablets. The data generated through the use of these technologies need to be analyzed for forensic purposes when criminal and terrorist activities are involved. In order to deal with the forensic implications of social networks, current research on both digital forensics and social networks need to be incorporated and understood. This will help digital forensics investigators to predict, detect and even prevent any criminal activities in different forms. It will also help researchers to develop new models / techniques in the future. This paper provides literature review of the social network forensics methods, models, and techniques in order to provide an overview to the researchers for their future works as well as the law enforcement investigators for their investigations when crimes are committed in the cyber space. It also provides awareness and defense methods for OSN users in order to protect them against to social attacks

Ab-initio design of perovskite alloys with predetermined properties: The case of Pb(Sc_{0.5} Nb_{0.5})O_{3}

A first-principles derived approach is combined with the inverse Monte Carlo technique to determine the atomic orderings leading to prefixed properties in Pb(Sc_{0.5}Nb_{0.5})O_{3} perovskite alloy. We find that some arrangements between Sc and Nb atoms result in drastic changes with respect to the disordered material, including ground states of new symmetries, large enhancement of electromechanical responses, and considerable shift of the Curie temperature. We discuss the microscopic mechanisms responsible for these unusual effects.Comment: 5 pages with 2 postscript figures embedde

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