Heating rate effects in simulated liquid Al<sub>2</sub>O<sub>3</sub>

Hoang, Vo Van

doi:10.1051/epjap:2005084

Cited by 7 publications

(5 citation statements)

References 20 publications

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“…equal to 2327 K (see Ref. [28]), the glass-phase transition temperature (T g ) and the critical Mode-Coupling theory temperature (T c ) for our Al 2 O 3 system are equal to 2000 K and 3500 K, respectively [25,29]. This means that our system at the temperature of 2100 K is in a supercooled state.…”

Section: Model and Simulationmentioning

confidence: 99%

Spatial correlations of most mobile or immobile particles in supercooled Al₂O₃

Hoang

2006

Physica Status Solidi (a)

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Spatial correlations of most mobile and immobile particles in supercooled Al 2 O 3 model at the temperatures of 2100 K have been investigated by using molecular dynamics (MD) method. Simulations were done in the basic cube under periodic boundary conditions containing 3000 ions with Born -Mayer type pair potentials. We evaluate the non-Gaussian parameter for the self-part of the van Hove correlation function, atomic displacement distribution (ADD) and cluster-size distributions of most mobile and immobile particles in the model. We compare the partial radial distribution functions (PRDFs) for the 5% most mobile or immobile Al, O particles with the corresponding mean ones. We have found that mean cluster size grows with decreasing temperature. The composition evolution in subset of most mobile or immobile particles upon cooling and annealing was obtained and presented. The relation between local structure and dynamics in the system has been studied and discussed.

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Section: Model and Simulationmentioning

confidence: 99%

Spatial correlations of most mobile or immobile particles in supercooled Al₂O₃

Hoang

2006

Physica Status Solidi (a)

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“…For liquid Al 2 O 3 , only a few simulations have been done [6,[18][19][20][23][24][25][26]. Sanmiguel et al [21] have performed a MD simulation for the Al 2 O 3 system at temperatures from 2200 to 3000 K. They found that liquid structure is invariant as a function of temperature at constant volume and concluded that more than 50% of Al atoms are four coordinated.…”

Section: Introductionmentioning

confidence: 99%

Computer simulation of liquid Al₂O₃

Hung

Vinh

Nghiep

et al. 2006

J. Phys.: Condens. Matter

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Molecular dynamic simulation has been done to determine the dynamic and local structure of liquid alumina at 3000 K. Fourteen different systems at densities ranging from 2.5 to 4.5 g cm −3 was prepared by compressing the low-density melt. Two kinds of pore aggregation, pore cluster and pore tube, were examined. Clear evidence was found of structural transformation from a tetrahedral to an octahedral network. For a low-density system there was a large pore tube, which involved 93% of oxygen-vacancy-like pores and spread over the whole simulation cell. Conversely, in a high-density system the largest pore tube contained less than 1% of all oxygen-vacancy-like pores. A similar trend also was observed for other pore kinds such as aluminium-vacancy-like pores and large pore clusters. The diffusion constants significantly decreased in the region of the structural transformation. The diffusion mechanism in low-and high-density systems was examined and is discussed here.

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“…One of the reasons for shifts in the peak temperatures after the annealing can be due to the cluster formation. The formation of the clusters of traps instead of randomly distributed defects causes a variation in the kinetics of the trapping and recombination processes [1][2][3][4][5].…”

Section: Resultsmentioning

confidence: 99%

“…DEBELO, S. HAILEMARIAM, 2020 kinetic parameters that include the trap depth (E), order of kinetics (b), and frequency factor (s). The study of relatively deep trapping-defect states in various phosphors, as well as the TL dating of solid-state materials, is closely related to the position of the trapping levels within the forbidden gap [3][4][5][6][7][8][9][10].…”

Section: Introductionmentioning

confidence: 99%

Effect of Thermal Annealing on Thermoluminescence Glow Curves of KY3F10:Ho3+

Debelo

Hailemariam

2020

Ukr. J. Phys.

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The effect of thermal annealing on thermoluminescence (TL) glow curves of commercially obtained KY3F10:Ho3+ phosphor is investigated, and the result is compared with that of unannealed sample. The samples were annealed at different annealing temperatures: namely, 400, 500, and 600 ∘C. The activation energy (trap depth), which is one of the TL kinetic parameters, is calculated for the annealed and unannealed samples using the variable heating rate (VHR) method. The results show that the thermal annealing has a clear effect on the TL intensities of the glow curves. The maxima of the TL glow curves shift toward a higher temperature region, as the annealing temperature increases. Moreover, the higher the annealing temperature, the shallower the position of the trap beneath the edge of the conduction band. The X-ray diffraction (XRD) pattern of the sample shows a monoclinic structure with unit cell dimensions (in Angstr¨om) a = 10.41, b = 6.73, c = 12.46 match with JCPDS card No. 21-1458.

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Heating rate effects in simulated liquid Al₂O₃

Cited by 7 publications

References 20 publications

Spatial correlations of most mobile or immobile particles in supercooled Al₂O₃

Spatial correlations of most mobile or immobile particles in supercooled Al₂O₃

Computer simulation of liquid Al₂O₃

Effect of Thermal Annealing on Thermoluminescence Glow Curves of KY3F10:Ho3+

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Heating rate effects in simulated liquid Al2O3

Cited by 7 publications

References 20 publications

Spatial correlations of most mobile or immobile particles in supercooled Al2O3

Spatial correlations of most mobile or immobile particles in supercooled Al2O3

Computer simulation of liquid Al2O3

Effect of Thermal Annealing on Thermoluminescence Glow Curves of KY3F10:Ho3+

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Heating rate effects in simulated liquid Al₂O₃

Spatial correlations of most mobile or immobile particles in supercooled Al₂O₃

Spatial correlations of most mobile or immobile particles in supercooled Al₂O₃

Computer simulation of liquid Al₂O₃