Transport Phenomena in Ammonothermal Growth of Gallium Nitride

GaN can be used to fabricate blue/green/UV LEDs and high temperature, high power electronic devices. Ideal substrates are needed for high quality III-nitride epitaxy, which is an essential step for the manufacture of LEDs. GaN substrates are ideal to be lattice matched and isomorphic to nitride-based films. Bulk single crystals of GaN can be grown from supercritical fluids using the ammonothermal method, which utilizes ammonia as fluid rather than water as in the hydrothermal process. In this process, a mineralizer such as amide, imide or azide is used to attack a bulk nitride feedstock at temperatures from 200 - 500癈 and pressures from 1 - 4 kbar. Baffle design is essential for successful growth of GaN crystals. Baffle is used to separate the dissolving zone from the growth zone, and to maintain a temperature difference between the two zones. For solubility curve with a positive coefficient with respect to temperature, the growth zone is maintained at a lower temperature than that in the dissolving zone, thus the nutrient becomes supersaturated in the growth zone. The baffle opening is used to control the mixing of nutrients in the two zones, thus the transfer of nutrient from the lower part to the upper part. Ammonothermal systems have been modeled here using fluid dynamics, thermodynamics and heat transfer models. The nutrient is considered as a porous media bed and the flow is simulated using the Darcy-Brinkman-Forchheimer model. The resulting governing equations are solved using the finite volume method. We investigated the effects of baffle opening and position on the transport phenomena of nutrient from dissolving zone to the growth zone. Simulation data have been compared qualitatively with experimental data.

Experimental Observation on Surface Wave Phenomena in Thermal Capillary Convection

An optical diagnostic system consisting of the Michelson interferometer with the image processor has been developed for studying of the surface wave in the thermal capillary convection in a rectangular cavity. In this paper, the capillary convection, surface deformation and surface wave due to the different temperature between the two sidewalls have been investigated. The cavity is 52mm?42mm in horizontal cross section and 4mm in height. The temperature difference is increased gradually and flow in liquid layer will change from steady convection to unstable convection. The optical interference method measures the surface deformation and the surface wave of the convection. The deformation of the interference fringes, which produced by the meeting of the reflected light from the liquid surface and the reference light has been captured, and the surface deformation appears when the steady convection is developed. The surface deformation is enhanced with the increasing of the temperature difference, and then several knaggy peeks in the interference fringes appear and move from the heated side to the cooled side, it demonstrates that the surface wave is existed. The surface deformation, the wavelength, the frequency, and the wave amplitude of the surface wave have been calculated.

Hybrid Qm/Mm Simulation Of The Hydration Phenomena Of Dipalmitoylphosphatidylcholine Headgroup

The polar headgroup of dipalmitoylphosphatidylcholine (DPPC) molecule both in gas phase and aqueous Solution is investigated by the hybrid quantum mechanical/molecular mechanical (QM/MM) method, in which the polar head of DPPC molecule and the bound water molecules are treated with density functional theory (DFT), while the apolar hydrocarbon chain of DPPC molecule is treated with MM method. It is demonstrated that the hybrid QM/MM method is both accurate and efficient to describe the conformations of DPPC headgroup. Folded structures of headgroup are found in gas phase calculations. In this work, both monohydration and polyhydration phenomena are investigated. In monohydration, different water association sites are studied. Both the hydration energy and the quantum properties of DPPC and water molecules are calculated at the DFT level of theory after geometry optimization. The binding force of monohydration is estimated by using the scan method. In polyhydration, more extended conformations are found and hydration energies in different polyhydration styles are estimated. (C) 2008 Elsevier Inc. All rights reserved.

Dissipative particle dynamics simulation of wettability alternation phenomena in the chemical flooding process

Wettability alternation phenomena is considered one of the most important enhanced oil recovery (EOR) mechanisms in the chemical flooding process and induced by the adsorption of surfactant on the rock surface. These phenomena are studied by a mesoscopic method named as dissipative particle dynamics (DPD). Both the alteration phenomena of water-wet to oil-wet and that of oil-wet to water-wet are simulated based on reasonable definition of interaction parameters between beads. The wetting hysteresis phenomenon and the process of oil-drops detachment from rock surfaces with different wettability are simulated by adding long-range external forces on the fluid particles. The simulation results show that, the oil drop is liable to spread on the oil-wetting surface and move in the form of liquid film flow, whereas it is likely to move as a whole on the water-wetting surface. There are the same phenomena occuring in wettability-alternated cases. The results also show that DPD method provides a feasible approach to the problems of seepage flow with physicochemical phenomena and can be used to study the mechanism of EOR of chemical flooding.

Mechanisms in fs-laser ablation in fused silica

A theoretical model is proposed to describe the microscopic processes involved in the ablation in fused silica induced by femtosecond-laser pulse. Conduction-band electron (CBE) can absorb laser energy, the rate is calculated by quantum mechanical method and classical method. CBE is produced via photoionization (PI) and impact ionization (II). The PI and II rates are calculated by using the Keldysh theory and double-flux model, respectively. Besides the CBE production, we investigate laser energy deposition and its distribution. The equation of energy diffusion in physical space is resolved numerically. Taking energy density E-dep=54 kJ/cm(3) as the criterion, we calculate damage threshold, ablation depth, and ablation volumes. It is found that if energy diffusion is considered, energy density near sample surface is reduced to 1/10, damage threshold is enhanced more than 30%, ablation depth is increased by a factor of 10. Our theoretical results agree well with experimental measurements. Several ultrafast phenomena in fused silica are also discussed. (C) 2004 American Institute of Physics.

Three-photon-excited upconversion luminescence of YVO4 single crystal by infrared femtosecond laser irradiation

We report on the upconversion luminescence of a pure YVO4 single crystal excited by an infrared femtosecond laser. The luminescent spectra show that the upconversion luminescence comes from the transitions from the lowest excited states T-3(1), T-3(2) to the ground state (1)A(1) of the VO43-. The dependence of the fluorescence intensity on the pump power density of laser indicates that the conversion of infrared irradiation to visible emission is dominated by three-photon excitation process. We suggest that the simultaneous absorption of three infrared photons promotes the VO43- to excited states, which quickly cascade down to lowest excited states, and radiatively relax to ground states, resulting in the broad characteristic fluorescence of VO43-. (c) 2005 Optical Society of America.

Femtosecond laser-induced damage in reflector

We have investigated the damage for ZrO2/SiO2 800 nm 45 degrees high-reflection mirror with femtosecond pulses. The damage morphologies and the evolution of ablation crater depths with laser fluences are dramatically different from that with pulse longer than a few tens of picoseconds. The ablation in multilayers occurs layer by layer, and not continuously as in the case of bulk single crystalline or amorphous materials. The weak point in damage is the interface between two layers. We also report its single-short damage thresholds for pulse durations ranging from 50 to 900 fs, which departs from the diffusion-dominated tau(1/2)(p) scaling. A developed avalanche model, including the production of conduction band electrons (CBE) and laser energy deposition, is applied to study the damage mechanisms. The theoretical results agree well with our measurements. (c) 2005 Elsevier B.V. All rights reserved.

Time-resolved investigation of low-density plasma channels produced by a kilohertz femtosecond laser in air

By employing pump-probe back longitudinal diffractometry, the electron density and decay dynamics of a weak plasma channel created by a 1-KHz fs laser in air has been investigated. With ultrashort laser pulses of 50 fs and low energy of 0.6 mJ, we observe weak plasma channels with a length similar to 2 cm in air. An analytical reconstruction method of electron density has been analyzed, which is sensitive to the phase shift and channel size. The electron density in the weak plasma channel is extracted to be about 4x10(16) cm(-3). The diameters of the plasma channel and the filament are about 50 and 150 mu m, respectively, and the measurable electron density can be extended to less than 10(15) cm(-3). Moreover, a different time-frequency technique called linearly chirped longitudinal diffractometry is proposed to time-resolved investigate ultrafast ionization dynamics of laser-irradiated gas, laser interaction with cluster beam, etc.

Few-cycle spatiotemporal soliton wave excited by filamentation of a femtosecond laser pulse in materials with anomalous dispersion

The nonlinear dynamics of 1.6-mu m fs laser pulses propagating in fused silica is investigated by employing a full-order dispersion model. Different from the x-wave generation in normally dispersive media, a few-cycle spatiotemporally compressed soliton wave is generated with the contrary contributions of anomalous group velocity dispersion (GVD) and self-phase-modulation. However, at the tailing edge of the pulse forms a shock wave which generates separate and strong supercontinuum peaked at 670 nm. It is also the origin of conical emission formed both in time and frequency domain with the contribution of normal GVD at visible light.