Search results for "methods"
showing 10 items of 4526 documents
Phase behavior of metals at very high P–T conditions: A review of recent experimental studies
2006
Studies at extreme pressures and temperatures are helpful for understanding the physical properties of the solid state, including such classes of materials as, metals, semiconductors, superconductors, or minerals. In particular, the phase behavior of metals at extreme pressures and temperatures is a challenging problem with many implications for other fields including Earth and planetary sciences. However, despite the efforts performed, the phase behavior of metals at very high pressures (HPs) and temperatures has been proven hard to predict accurately and only a limited number of experimental methods for making measurements in the regime of megabar pressures and thousand degree temperature…
Lifetime of the superconductive state in short and long Josephson junctions
2008
We study the transient statistical properties of short and long Josephson junctions under the influence of thermal and correlated fluctuations. In particular, we investigate the lifetime of the superconductive metastable state finding the presence of noise induced phenomena. For short Josephson junctions we investigate the lifetime as a function both of the frequency of the current driving signal and the noise intensity and we find how these noise-induced effects are modified by the presence of a correlated noise source. For long Josephson junctions we integrate numerically the sine-Gordon equation calculating the lifetime as a function of the length of the junction both for inhomogeneous a…
Electronic and structural properties of palladium-based Heusler superconductors
2008
Abstract This work reports on superconductivity in the Heusler compounds Pd2ZrAl and Pd2HfAl. Magnetisation and resistance measurements were carried out to verify their superconducting states. The compounds exhibit transition temperatures of 3.2 K (Zr) and 3.4 K (Hf). From their behaviour in external magnetic fields, it was determined that both compounds are type II superconductors. Similar to the half-metallic ferromagnets, the superconducting Heusler compounds follow an electron counting scheme based on theoretical considerations. As found from ab initio calculations, the superconductivity can be explained by a valence instability at the L -point, that has been used as design criterion.
Ab initiothermodynamics ofBacSr(1−c)TiO3solid solutions
2005
Based on ab initio calculations for a number of the ${\mathrm{Ba}}_{\mathrm{c}}{\mathrm{Sr}}_{(1\ensuremath{-}\mathrm{c})}\mathrm{Ti}{\mathrm{O}}_{3}$ (BST) superlattices, we developed a thermodynamic approach to these solid solutions. In particular, we calculate the BST phase diagram and show that at relatively low temperatures (below $400\phantom{\rule{0.3em}{0ex}}\mathrm{K}$ for $c=0.5$ and $300\phantom{\rule{0.3em}{0ex}}\mathrm{K}$ for $c=0.1$) the spinodal decomposition of the solid solution occurs. As a result, we predict for small Ba concentrations formation of $\mathrm{Ba}\mathrm{Ti}{\mathrm{O}}_{3}$ nanoregions in a predominantly $\mathrm{Sr}\mathrm{Ti}{\mathrm{O}}_{3}$ matrix and …
Machine learning for a combined electroencephalographic anesthesia index to detect awareness under anesthesia
2020
Spontaneous electroencephalogram (EEG) and auditory evoked potentials (AEP) have been suggested to monitor the level of consciousness during anesthesia. As both signals reflect different neuronal pathways, a combination of parameters from both signals may provide broader information about the brain status during anesthesia. Appropriate parameter selection and combination to a single index is crucial to take advantage of this potential. The field of machine learning offers algorithms for both parameter selection and combination. In this study, several established machine learning approaches including a method for the selection of suitable signal parameters and classification algorithms are a…
Comparative Hybrid Hartree-Fock-DFT Calculations of WO2-Terminated Cubic WO3 as Well as SrTiO3, BaTiO3, PbTiO3 and CaTiO3 (001) Surfaces
2021
We greatly acknowledge the financial support via the ERAF Project No. 1.1.1.1/18/A/073. Calculations were performed using Latvian Super Cluster (LASC), located in the Center of Excellence at Institute of Solid State Physics, the University of Latvia, which is supported by European Union Horizon 2020 Framework Programme H2020-WIDESPREAD-01-2016-2017-Teaming Phase 2 under Grant Agreement No. 739508, project CAMART.
Systematic trends in YAlO3, SrTiO3, BaTiO3, BaZrO3 (001) and (111) surface ab initio calculations
2019
We greatly acknowledge the financial support via Latvian-Ukrainian Joint Research Project No. LV-UA/2018/2, Latvian Council of Science Grant No. 2018/2-0083 “Theoretical prediction of hybrid nanostructured photocatalytic materials for efficient water splitting”, Latvian Council of Science Grant No. 2018/1-0214 as well as ERAF Project No. 1.1.1.1/18/A/073.
Atomistic Simulations of the LaMnO3 (110) Polar Surface.
2003
The results of atomic structure calculations, with a focus on the surface relaxation and polarization, are presented for the LaMnO3 (110) O-terminated polar surface. We compare results of the classical shell model calculations for four possible terminations, including (1 × 2) (110) surface reconstruction, and demonstrate that the latter has the lowest surface energy. The surface energy is saturated only when six to eight near-surface atomic planes are relaxed which is accompanied by the considerable dipole moments perpendicular to the surface. Results are compared with those for iso-structural BaTiO3 (110) surfaces.
Efficient Analysis of Arbitrarily Shaped Inductive Obstacles in Rectangular Waveguides Using a Surface Integral Equation Formulation
2007
In this paper we propose to use the Surface Integral Equation technique for the analysis of arbitrarily shaped Hplane obstacles in rectangular waveguides, which can contain both metallic and/or dielectric objects. The Green functions are formulated using both spectral and spatial images series, whose convergence behavior has been improved through several acceleration techniques. Proceeding in this way, the convergence of the series is not attached to the employment of any particular basis or test function, thus consequently increasing the flexibility of the implemented technique. In order to test the accuracy and numerical efficiency of the proposed method, results for practical microwave c…
Ab Initio Calculations of Hydroxyl Impurities in CaF2
2012
OH– in CaF2 crystal and the (111) surface have been studied by using density functional theory (DFT) with hybrid exchange potentials, namely, DFT-B3PW. Three bulk and 20 surface OH– configurations ...