This paper elucidates dynamic effects of phase transitions and thermal expansion on pyroelectric energy conversion. The Olsen cycle was performed on [001]-oriented 0:72PbMg1=3Nb2=3O30:28PbTiO3 (PMN-28PT) single crystals at different frequencies with electric field cycled between 0.2 and 0.75 MV/m and temperature between 22 and 140 C. The measured energy density more than doubled as frequency in...

The evolution of the geometric and electronic structures within the entire series of lanthanide orthophosphate nanoparticles ( approximately 2- approximately 5 nm) has been determined experimentally with X-ray diffraction and near edge X-ray absorption fine structure spectroscopy. In particular, the interplay between electronic structure, crystal morphology, and crystal phase has been systemati...

a r t i c l e i n f o Using first-principles calculations, we have carried out a systematic comparative study of the microscopic atomic defect configurations in cubic and tetragonal yttria-stabilized zirconia (YSZ) and their correlation with the macroscopic lattice parameters and relative phase stability, as a function of Y concentration. We found that Y atoms sit at the second-nearest-neighbor...

First-principles calculations are performed to investigate the structures, electrical, and magnetic properties of compressive BiFeO3 films under electric-field and pressure perpendicular to the films. A reversible electric-field-induced strain up 10% is achieved in the compressive BiFeO3 films. The giant strain originates from rhombohedral-tetragonal (R-T) phase transition under electric-filed,...

Pressure dependence of the electronic and crystal structures of KxFe2-ySe2, which has pressure-induced two superconducting domes of SC I and SC II, was investigated by x-ray emission spectroscopy and diffraction. X-ray diffraction data show that compressibility along the c-axis changes around 12 GPa, where a new superconducting phase of SC II appears. This suggests a possible tetragonal to coll...

Crystal structure and compressibility of potassium azide was investigated by in-situ synchrotron powder X-ray diffraction in a diamond anvil cell at room temperature up to 37.7 GPa. In the bodycentered tetragonal (bct) phase, an anisotropic compressibility was observed with greater compressibility in the direction perpendicular to the plane containing N3 ions than directions within that plane. ...

The microstructure and morphology of solid-oxide fuel-cell electrodes are very complex but important because they strongly affect the electrical performance of the cell. In this work the high-resolution X-ray nanotomography technique is applied to reconstruct the three-dimensional microstructure of a (La(0.8)Sr(0.2))(0.95)MnO(3) yttria-stabilized zirconia composite cathode. Some key microstruct...

Zirconia is a “metastable” ceramic, consisting of monoclinic, tetragonal, and cubic phases. Partially stabilized zirconia preferred choice for dental use since they offer the opportunity to fabricate prosthesis which not available with other ceramic materials. Phase transformation in ceramics represents one most remarkable innovations field. This phase can have desirable consequences, increase ...

The phases of ceria–zirconia nanoparticles observed in air are studied as a function of particle size and composition by X-ray diffraction, transmission electron microscopy, and Raman spectroscopy. The emergence of two tetragonal phases t00 and t monotonically moves toward higher zirconia concentrations with decreasing particle size. A smaller particle size increases the solubility of zirconia ...

We report the results from a computational study of the self-assembly of amphiphilic ditethered nanospheres using molecular simulation. As a function of the interaction strength and directionality of the tether-tether interactions, we predict the formation of four highly ordered phases not previously reported for nanoparticle systems. We find a double diamond structure comprised of a zinc blend...