Magnetic, dielectric and calorimetric studies on 0.9BiFeO3-0.1BaTiO3 indicate strong magnetoelectric coupling. XRD studies reveal a very remarkable change in the rhombohedral distortion angle and a significant shift in the atomic positions at the magnetic Tc due to an isostructural phase transition. The calculated polarization using Rietveld refined atomic positions scales linearly with magneti...

This paper explores the capability of using the DFT-D ab initio random structure searching (AIRSS) method to generate crystal structures of organic molecular materials, focusing on a system (m-aminobenzoic acid; m-ABA) that is known from experimental studies to exhibit abundant polymorphism. Within the structural constraints selected for the AIRSS calculations (specifically, centrosymmetric str...

We present a slab-line waveguide whose geometry is optimized for wide-angle x-ray diffraction (XRD) experiments on protein crystals during irradiation with intense microwave fields. Characterization of the waveguide transmission and reflectivity (using time-domain reflectometry) and of the electric field distribution inside the waveguide (using finite-difference time-domain calculations) shows ...

We report on a novel method to fabricate composition gradient, epitaxial La1−xSrxMnO3 thin films with the objective to alleviate biaxial film strain. In this work, epitaxial, composition gradient La1−xSrxMnO3, and pure LaMnO3 and La0.67Sr0.33MnO3 thin films were deposited by radio frequency (RF) magnetron sputtering. The crystalline and epitaxy of all films were first studied by symmetric θ–2θ ...

This paper explores the capability of using the DFT-D ab initio random structure searching (AIRSS) method to generate crystal structures of organic molecular materials, focusing on a system (m-aminobenzoic acid; m-ABA) that is known from experimental studies to exhibit abundant polymorphism. Within the structural constraints selected for the AIRSS calculations (specifically, centrosymmetric str...

Melting of crystalline solids ~superlattices! of octadecanethiol and octanethiol protected silver clusters has been studied with x-ray powder diffraction ~XRD!, differential scanning calorimetry ~DSC!, and infrared ~IR! spectroscopy. These solids have been compared with the silver thiolate layered compounds in view of their similarity in alkyl chain packing and x-ray diffraction patterns. Super...

The purpose of this study is to investigate the surface characteristics and biocompatibility of titanium (Ti) surfaces modified by wire electrical discharge machining (EDM). EDM surface characteristics were evaluated by scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), thin-film X-ray diffractometry (XRD) and contact angle measurements. MC3T3-E1 cell morphology, attach...

In this work we synthesized Pd(II) immobilized on mesoporous silica by N-heterocyclic carbene (NHC) ionic liquids (ILs) with different alkyl chain lengths. The catalysts were characterized by Fourier transform infrared spectroscopy (FT-IR), thermogravimetric analysis (TGA), low-angle X-ray powder diffraction (XRD), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), ...

objectives: accurate localization of the inferior alveolar canal (iac) is extremely important in some dental treatments. anatomical variation of the canal means that it can be difficult to locate. the purpose of this study was to assess the relationship of the gonial angle (ga) size and iac position using cone beam computed tomography (cbct). materials and methods: in this in vitro study, 61 dr...

Mesoporous CuO-ZrO2 catalysts were prepared and calcined at 500 ̋C. The performance of the synthesized catalysts for benzylation of benzene using benzyl chloride was studied. The bare support (macroporous ZrO2) offered 45% benzyl chloride conversion after reaction time of 10 h at 75 ̋C. Significant increase in benzyl chloride conversion (98%) was observed after CuO loading (10 wt. %) on porous ...