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

Cosine Similarity Measure According to a Convex Cost Function

In this paper, we describe a new vector similarity measure associated with a convex cost function. Given two vectors, we determine the surface normals of the convex function at the vectors. The angle between the two surface normals is the similarity measure. Convex cost function can be the negative entropy function, total variation (TV) function and filtered variation function. The convex cost function need not be differentiable everywhere. In general, we need to compute the gradient of the cost function to compute the surface normals. If the gradient does not exist at a given vector, it is possible to use the subgradients and the normal producing the smallest angle between the two vectors is used to compute the similarity measure

Kinetic Monte Carlo Simulations of Crystal Growth in Ferroelectric Alloys

The growth rates and chemical ordering of ferroelectric alloys are studied with kinetic Monte Carlo (KMC) simulations using an electrostatic model with long-range Coulomb interactions, as a function of temperature, chemical composition, and substrate orientation. Crystal growth is characterized by thermodynamic processes involving adsorption and evaporation, with solid-on-solid restrictions and excluding diffusion. A KMC algorithm is formulated to simulate this model efficiently in the presence of long-range interactions. Simulations were carried out on Ba(Mg_{1/3}Nb_{2/3})O_3 (BMN) type materials. Compared to the simple rocksalt ordered structures, ordered BMN grows only at very low temperatures and only under finely tuned conditions. For materials with tetravalent compositions, such as (1-x)Ba(Mg_{1/3}Nb_{2/3})O_3 + xBaZrO_3 (BMN-BZ), the model does not incorporate tetravalent ions at low-temperature, exhibiting a phase-separated ground state instead. At higher temperatures, tetravalent ions can be incorporated, but the resulting crystals show no chemical ordering in the absence of diffusive mechanisms.Comment: 13 pages, 16 postscript figures, submitted to Physics Review B Journa

Approximate Computation of DFT without Performing Any Multiplications: Applications to Radar Signal Processing

In many practical problems it is not necessary to compute the DFT in a perfect manner including some radar problems. In this article a new multiplication free algorithm for approximate computation of the DFT is introduced. All multiplications $(a\times b)$ in DFT are replaced by an operator which computes $sign(a\times b)(|a|+|b|)$. The new transform is especially useful when the signal processing algorithm requires correlations. Ambiguity function in radar signal processing requires high number of multiplications to compute the correlations. This new additive operator is used to decrease the number of multiplications. Simulation examples involving passive radars are presented

Bubbly cavitating flow generation and investigation of its erosional nature for biomedical applications

This paper was presented at the 2nd Micro and Nano Flows Conference (MNF2009), which was held at Brunel University, West London, UK. The conference was organised by Brunel University and supported by the Institution of Mechanical Engineers, IPEM, the Italian Union of Thermofluid dynamics, the Process Intensification Network, HEXAG - the Heat Exchange Action Group and the Institute of Mathematics and its Applications.The paper presents a study of the generation of hydrodynamic bubbly cavitation in microchannels to investigate the destructive energy output resulting from this phenomenon and its potential use in biomedical applications. The research performed in this study includes the experimental results from bubbly cavitation experiments and the findings showing the destructive effects of bubbly cavitating flow on selected specimens and cells. The bubbles caused by hydrodynamic cavitation are highly destructive at the surfaces of the target medium on which they are carefully focused. The resulting destructive energy output could be effectively used for good means such as destroying kidney stones or killing infected cancer cells. Motivated by this potential, the cavitation damage (material removal) to cancerous cells and chalk pieces having similar material properties as calcium phosphate in human bones was investigated. Also the potential of hydrodynamic bubbly cavitation generated at the microscale for biomedical treatments was revealed using the microchannel configuration of a microorifice (with an inner diameter of 0.147 mm and a length of 1.52cm).This work was supported by Sabancı University Internal Grant for Research Program under Grant FRG-C47004

Real-Time Urban Weather Observations for Urban Air Mobility

Cities of the future will have to overcome congestion, air pollution and increasing infrastructure cost while moving more people and goods smoothly, efficiently and in an eco-friendly manner. Urban air mobility (UAM) is expected to be an integral component of achieving this new type of city. This is a new environment for sustained aviation operations. The heterogeneity of the urban fabric and the roughness elements within it create a unique environment where flight conditions can change frequently across very short distances. UAM vehicles with their lower mass, more limited thrust and slower speeds are especially sensitive to these conditions. Since traditional aviation weather products for observations and forecasts at an airport on the outskirts of a metropolitan area do not translate well to the urban environment, weather data for low-altitude urban airspace is needed and will be particularly critical for unlocking the full potential of UAM. To help address this need, crowdsourced weather data from sources prevalent in urban areas offer the opportunity to create dense meteorological observation networks in support of UAM. This paper considers a variety of potential observational sources and proposes a cyber-physical system architecture, including an incentive-based crowdsensing application, which empowers UAM weather forecasting and operations

How to Help the Poor to Save a Bit: Evidence from a Field Experiment in Kenya

Worldwide, the majority of workers hold jobs in the informal sector that do not provide access to social insurance programs. We partnered with a savings product provider in Kenya to test the extent to which behavioral interventions and financial incentives can increase the saving rate through a voluntary pension program for informal workers with low and irregular income. Our experiment lasted for six months and included a total of twelve conditions. The control condition received weekly reminders and balance reporting via text messages. The treatment conditions received in addition one of the following interventions: (1) reminder text messages framed as if they came from the participant's kid (2) a golden colored coin with numbers for each week of the trial, on which participants were asked to keep track of their weekly deposits (3) a match of weekly savings: The match was either 10% or 20% up to a certain amount per week. The match was either deposited at the end of each week or the highest possible match was deposited at the start of each week and was adjusted at the end. Among these interventions, by far the most effective was the coin: Those in the coin condition saved on average the highest amount and more than twice as those in the control condition. We hypothesize that being a tangible track-keeping object; the coin made subjects remember to save more often. Our results support the line of literature suggesting that saving decisions involve psychological aspects and that policy makers and product designers should take these influences into account

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

Distributed and biometric signature-based identity proofing system for the maritime sector

The maritime sector is an industry that faces significant and various challenges related to cyber security and data management, such as fraud and user authentication. Therefore, there is a need for a secure solution that can effectively manage data transactions while resolving digital identity. A biometric signature application in blockchain for fighting fraud and fake identities may provide a solution in the maritime sector. This research proposes a biometric signature and an IPFS network-blockchain framework to address these challenges. This paper also discusses the proposed framework's cyber security challenges that threaten behavioral biometric security

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