Search results for "lattice [space-time]"
showing 10 items of 692 documents
An X-ray powder diffraction study of the microstructural evolution on heating 3:2 and 2:1 mullite single-phase gels
2006
Single-phase gels with compositions 3Al2O3·2SiO2 and 2Al2O3·SiO2 were prepared by gelling mixtures of aluminium nitrate and tetraethylorthosilicate. Gels were fast heated at different temperatures between 900°C and 1600°C. The phase transformation and microstructural changes of both mullite precursor gels over the temperature range were followed by X-ray powder diffraction (XRD), lattice parameter determination (LP), and scanning and transmission electron microscopies (SEM and TEM). The distribution of crystallite sizes and strains were determined by linewidth refinements of X-ray diffraction patterns using the integral breadth method of Langford and the Warren-Averbach analysis. XRD of bot…
Effects of Thermal Treatment on the Structure of Eu:YAG Nanopowder
2007
Eu:YAG nanopowder precursors were obtained by co-precipitation of aluminium, yttrium and europium nitrates solution with ammonia. The hydroxides precursors were calcined at different temperatures from 900 to 1200°C as a function of holding time (1, 2 and 6 hours). The presence of Eu3+ ions in the matrix was confirmed by Energy Dispersive X-rays analysis. X-Ray Diffraction investigation by the Rietveld method shows that the sample treated at 900°C for 1 hour is essentially the garnet phase with the minor presence of hexagonal and monoclinic metastable phases. The Eu3+ ions are incorporated into the garnet phase, as is suggested by the lattice parameter value being larger than that in literat…
Temperature- and Magnetic-Field-Dependent Longitudinal Spin Relaxation in Nitrogen-Vacancy Ensembles in Diamond
2011
We present an experimental study of the longitudinal electron-spin relaxation time (T1) of negatively charged nitrogen-vacancy (NV) ensembles in diamond. T1 was studied as a function of temperature from 5 to 475 K and magnetic field from 0 to 630 G for several samples with various NV and nitrogen concentrations. Our studies reveal three processes responsible for T1 relaxation. Above room temperature, a two-phonon Raman process dominates, and below, we observe an Orbach-type process with an activation energy, 73(4) meV, which closely matches the local vibrational modes of the NV center. At yet lower temperatures, sample dependent cross relaxation processes dominate, resulting in temperature …
Development of a Polarizer and Biocompatible Polarizing Agents for Use in Dynamic Nuclear Polarization DNP-Enhanced NMR and MRI
2009
The application of 13C (or other low γ nuclei) NMR spectroscopy and imaging for clinical diagnosis has been constrained by the extremely long imaging and spectroscopy acquisition times that are required to obtain high SNR under physiological conditions (low natural abundance of 13C, low concentration of 13C-compounds, physiological temperature etc.). However, this obstacle could be overcome by in vitro hyperpolarization of a 13C-containing molecule with long spin lattice relaxation time via dynamic nuclear polarization (DNP) and subsequent injection into the animal or patient of investigation [1, 2]. DNP is achieved by resonant excitation of electron spins of radicals (electron paramagnetic…
Luminescence mechanisms of defective ZnO nanoparticles.
2016
ZnO nanoparticles (NPs) synthesized by pulsed laser ablation (PLAL) of a zinc plate in deionized water were investigated by time-resolved photoluminescence (PL) and complementary techniques (TEM, AFM, μRaman). HRTEM images show that PLAL produces crystalline ZnO NPs in wurtzite structure with a slightly distorted lattice parameter a. Consistently, optical spectra show the typical absorption edge of wurtzite ZnO (Eg = 3.38 eV) and the related excitonic PL peaked at 3.32 eV with a subnanosecond lifetime. ZnO NPs display a further PL peaking at 2.2 eV related to defects, which shows a power law decay kinetics. Thermal annealing in O2 and in a He atmosphere produces a reduction of the A1(LO) Ra…
INTERPRETATION OF POTENTIAL INTERMITTENCE TITRATION TECHNIQUE EXPERIMENTS FOR VARIOUS Li-INTERCALATION ELECTRODES
2002
In this paper we compare two different approaches for the calculation of the enhancement factor Wi , based on its definition as the ratio of the chemical and the component diffusion coefficients for species in mixed-conduction electrodes, originated from the “dilute solution” or “lattice gas” models for the ion system. The former approach is only applicable for small changes of the ion concentration while the latter allows one to consider a broad range of intercalation levels. The component diffusion coefficient of lithium ions has been determined for a series of lithium intercalation anodes and cathodes. A new “enhancement factor” for the ion transport has been defined and its relations to…
Monte Carlo modelling of the polymer glass transition
1993
We are proposing a lattice model with chemical input for the computer modelling of the polymer glass transition. The chemical input information is obtained by a coarse graining procedure applied to a microscopic model with full chemical detail. We use this information on Bisphenol-A-Polycarbonate to predict it's Vogel-Fulcher temperature out of a dynamic Monte Carlo Simulation. The microscopic structure of the lattice model is that of a genuine amorphous material, and the structural relaxation obeys the time temperature superposition.
Effect of Growth Temperature on the Structural and Morphological Properties of MgCdO Thin Films Grown by Metal Organic Chemical Vapor Deposition
2017
II-VI oxides ternary alloys have attracted considerable interest of the scientific community due to the possibility of modulating their interesting optoelectronic properties. Despite this interest, MgCdO has been poorly studied. In this work, by using the metal organic chemical vapor deposition method at low pressure, we have analyzed the synthesis of thin films of this alloy. Thus, for a fixed metal-organic precursors content, a change from Mg1-xCdxO (Mg-rich phase) to Cd1-xMgxO (Cd-rich phase) has been induced when decreasing the growth temperature. The temperature range where both phases coexist has been particularly analyzed. Using X-ray diffraction analysis and scanning electron micros…
Ab initio studies on the lattice thermal conductivity of silicon clathrate frameworks II and VIII
2016
The lattice thermal conductivities of silicon clathrate frameworks II and VIII are investigated by using ab initio lattice dynamics and iterative solution of the linearized Boltzmann transport equation(BTE) for phonons. Within the temperature range 100-350 K, the clathrate structures II and VIII were found to have lower lattice thermal conductivity values than silicon diamond structure (d-Si) by factors of 1/2 and 1/5, respectively. The main reason for the lower lattice thermal conductivity of the clathrate structure II in comparison to d-Si was found to be the harmonic phonon spectra, while in the case of the clathrate structure VIII, the difference is mainly due to the harmonic phonon spe…
Spintronic properties of Li1.5Mn0.5Z (Z=As, Sb) compounds in the Cu2Sb structure
2015
Abstract We have investigated the spintronic properties of two formula units of Li1.5Mn0.5Z (Z=As, Sb), in the Cu2Sb tetragonal crystal structure based on first-principles density-functional theory calculations, at, and near, their equilibrium (minimum total energy) lattice constants. Two groups of configurations, A and B, are formed for each type of alloy by interchanging Mn with each Li located at four different positions with respect to Li4Z2. Mn has four nearest neighbors in group-A and has one nearest neighbor in group-B. The bonding features of the alloys are compared to the ionic bonding in Li4Z2, and the tetragonal structure of cubic LiMnZ. The magnetic moments of these compounds ar…