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Reconstructing phase diagrams from local measurements via Gaussian processes:mapping the temperature-composition space toconfidence

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npj Computational Materials 2018年第1期4卷 451-461页

作者： dhiren k.pradhan Shalini kumari Evgheni Strelcov Dillip k.pradhan Ram S.katiyar Sergei V.kalinin Nouamane Laanait Rama k.Vasudevan Department of Physics and Institute of Functional Nanomaterials University of Puerto Rico San Juan PR 00936 USA Institute for Research in Electronics and Applied Physics University of MarylandCollege ParkMD 207425USA Department of Physics&Astronomy National Institute of TechnologyRourkela 769008India Center for Nanophase Materials Sciences Oak Ridge National Laboratory Oak Ridge TN 37831 USA Institute for Functional Imaging of Materials Oak Ridge National LaboratoryOak RidgeTN 37831USA Geophysical Laboratory Carnegie Institution for ScienceWashingtonDC 20015USA Department of Physics and Astronomy West Virginia UniversityMorgantownWV 26506USA

We show the ability to map the phase diagram of a relaxor-ferroelectric system as a function of temperature and composition through local hysteresis curve acquisition,with the voltage spectroscopy data being used as a proxy for the(unknown)microscopic state or thermodynamic parameters of *** the discrete nature of the measurement points,we use Gaussian processes to reconstruct hysteresis loops in temperature and voltage space,and compare the results with the raw data and bulk dielectric spectroscopy *** results indicate that the surface transition temperature is similar for all but one composition with respect to the *** clustering algorithms,we recreate the main features of the bulk diagram,and provide statistical confidence estimates for the reconstructed phase transition *** validate the method by using Gaussian processes to predict hysteresis loops for a given temperature for a composition unseen by the algorithm,and compare with *** techniques can be used to map phase diagrams from functional materials in an automated fashion,and provide a method for uncertainty quantification and model selection.

关键词： materials hysteresis phase

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Synthesis and characterization of lead-free ternary component BST-BCT-BZT ceramic capacitors

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Journal of Advanced Dielectrics 2014年第2期4卷 51-59页

作者： Venkata Sreenivas Puli dhiren k.pradhan Brian C.Riggs Shiva Adireddy Ram S.katiyar Douglas B.Chrisey Department of Physics and Engineering Physics Tulane University New Orleans-LA 70118USA Department of Physics University of Puerto Rico San Juan-00936PRUSA

Polycrystalline sample of lead-free 1/3(Ba_(0.70)Sr_(0.30)TiO_(3))+1/3(Ba_(0.70)Ca_(0.30)TiO_(3))+1/3(BaZr_(0.20)Ti_(0.80)O_(3))(BST-BCT-BZT)ceramic was synthesized by solid state reaction *** purity and crystal structure of as-synthesized materials was confirmed by X-ray diffraction(XRD).Temperature-dependent dielectric permittivity studies demonstrated frequency independent behavior,indicating that the studied sample has typical diffuse phase transition behavior with partial thermal hysteresis.A ferroelectric phase transition between cubic and tetragonal phase was noticed near room temperature(~330 k).Bulk P-E hysteresis loop showed a saturation polarization of 20.4μC/cm^(2) and a coercive field of~12.78 kV/cm at a maximum electric field of~115 kV/*** dielectric constant(ε~5773),low dielectric loss(tanδ~0.03)were recorded at room *** energy density of 0.44 J/cm^(3) and charge energy density of 1.40 J/cm^(3) were calculated from nonlinear ferroeletric hysteresis loop at maximum electric *** constant at variable temperatures and electric fields,ferroeletric to paraelectric phase transition and energy storage properties were thoroughly discussed.

关键词： Crystal structure dieletric properties energy storage electrical properties

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