Search results for "crystallization"

Hydrodynamical aspects of the floating zone silicon crystal growth process

2014

Abstract 3D numerical modeling of dopant transport in the melt is carried out for the 100 mm floating zone silicon single crystal growth process. The axis-symmetric shape of the molten zone is calculated with the program FZone considering the coil and the high frequency (HF) electromagnetic (EM) field in 3D. Time dependent melt flow, temperature and dopant concentration fields are modeled using a specialized solver based on the open source code library OpenFOAM ® . The influence of the Marangoni coefficient in the boundary conditions on the melt velocity field is analyzed. The obtained shapes of the crystallization interface and resistivity profiles in the grown crystal are compared with ex…

CDRX modelling in friction stir welding of aluminium alloys

2005

In the paper a numerical model aimed to the determination of the average grain size due to continuous dynamic recrystallization phenomena (CDRX) in friction stir welding processes of AA6082 T6 aluminum alloys is presented. In particular, the utilized model takes into account the local effects of strain, strain rate and temperature; an inverse identification approach, based on a linear regression procedure, is utilized in order to develop the proper material characterization.

Prediction of Solid Solution Formation among Chemically Similar Molecules Using Calculation of Lattice and Intermolecular Interaction Energy

2020

Several 2-substituted 4-nitrobenzoic acid (NBA) derivatives such as 2-chloro-4-nitrobenzoic acid (2C4NBA), 2-methyl-4-nitrobenzoic acid (2CH34NBA) and 2-hydroxy-4-nitrobenzoic acid (2OH4NBA) were selected as model compounds because of their availability and chemically similar structures, in which the different group/atom (R) does not significantly affect the dominant intermolecular interactions – hydrogen bonds formed by the carboxylic group [1]. Quantum chemical calculations of lattice and intermolecular interaction energy were carried out to identify possible factors, which could be, used in prediction of the formation of solid solutions (SS) in binary systems of chemically similar molecu…

Cutting single-walled carbon nanotubes with an electron beam: evidence for atom migration inside nanotubes.

2006

Effect of additives on the crystallization of cordierite-based glass-ceramics as glazes for floor tiles

2003

Abstract The effect of several additives such as fluxes and/or nucleants on a parent glass with composition located in the primary field of cordierite within the quaternary system CaO–MgO–Al 2 O 3 –SiO 2 has been examined. Crystallization path of glasses was determined by differential thermal analysis (DTA) and X-ray powder diffraction (XRD). Pressed pellets of powdered glasses containing different additives were submitted at thermal treatments up to 1200 °C. The microstructural development at several temperatures was followed by field emission scanning electron microscopy and energy-dispersive X-ray analysis. The results shown that additions of TiO 2 as nucleant and/or B 2 O 3 as flux to a…

Crystallization behaviour and microstructural development in ZrSiO 4 and V-ZrSiO 4 solid solutions from colloidal gels

2000

Abstract Zircon and vanadium-doped zircon blue pigments were prepared by heat treatment of gel precursors. Gels with nominal compositions Vx-ZrSiO4 with x=0.0, 0.002, 0.004, 0.02 and 0.2 were prepared by formation of a silica coating on zirconia colloidal particles previously obtained. The crystallization behavior and microstructural evolution were studied using X-ray powder diffraction (XRD), energy dispersive X-rays microanalysis (EDX), field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM) and selected area electron diffraction (SAED). The results indicated that the vanadia loading in the precursor gels speeds up the crystallization of the vanadium-co…

Low-temperature Ti-containing 3:2 and 2:1 mullite nanocrystals from single-phase gels

2007

Abstract TiO 2 -containig single-phase gels with (Al 2 O 3  + TiO 2 )/(SiO 2 ) molar ratios 3/2 and 2/1 were prepared by gelling mixtures of aluminium nitrate, tetraethylorthosilicate and titanium isopropoxide. Gels were fast heated at several temperatures up to 1100 °C. Dried and heated gels were characterized by differential thermal analysis (DTA), magic angle spinning nuclear magnetic resonance (MAS-NMR), X-ray powder diffraction (XRD), and scanning and transmission electron microscopies (SEM and TEM). Coupled DTA and XRD results of gels fast heated at 900 °C showed the crystallisation of two mullites as well as a small amount of alumina-silica spinel. 27 Al NMR spectra showed the format…

Crystallization in suspensions of hard spheres: a Monte Carlo and molecular dynamics simulation study

2011

The crystallization of a metastable melt is one of the most important non-equilibrium phenomena in condensed matter physics, and hard sphere colloidal model systems have been used for several decades to investigate this process by experimental observation and computer simulation. Nevertheless, there is still an unexplained discrepancy between the simulation data and experimental nucleation rate densities. In this paper we examine the nucleation process in hard spheres using molecular dynamics and Monte Carlo simulation. We show that the crystallization process is mediated by precursors of low orientational bond-order and that our simulation data fairly match the experimental data sets.

Hard sphere fluids at a soft repulsive wall: A comparative study using Monte Carlo and density functional methods

2011

Hard-sphere fluids confined between parallel plates at a distance D apart are studied for a wide range of packing fractions including also the onset of crystallization, applying Monte Carlo simulation techniques and density functional theory. The walls repel the hard spheres (of diameter σ) with a Weeks-Chandler-Andersen (WCA) potential V(WCA)(z) = 4ε[(σ(w)/z)(12) - (σ(w)/z)(6) + 1/4], with range σ(w) = σ/2. We vary the strength ε over a wide range and the case of simple hard walls is also treated for comparison. By the variation of ε one can change both the surface excess packing fraction and the wall-fluid (γ(wf)) and wall-crystal (γ(wc)) surface free energies. Several different methods t…

Fluoride-induced precipitates on enamel surface and subsurface areas visualised by electron microscopy and confocal laser scanning microscopy

1997

The present study examined the enamel surface after in vitro topical treatments with a neutral 2% NaF solution. For minimising the risk of artefacts, samples were inspected without pre-treatment as fresh, naturally wet specimens by complementary techniques: variable pressure electron microscopy (VP-SEM) and confocal laser scanning microscopy (CLSM). VP-SEM provided information on the surface morphology, whereas CLSM allowed non-destructive visualisation of subsurface areas. Neutral NaF solutions induced globular precipitates on the enamel surfaces. If the globules formed may be described as "calcium fluoride like material", the additional information of this experiment is that, after intera…