Modeling Ammonothermal Growth of GaN Single Crystals: The Role of Transport

Single crystal gallium nitride (GaN) is an important technological material used primarily for the manufacture of blue light lasers. An important area of contemporary research is developing a viable growth technique. The ammonothermal technique is an important candidate among many others with promise of commercially viable growth rates and material quality. The GaN growth rates are a complicated function of dissolution kinetics, transport by thermal convection and crystallization kinetics. A complete modeling effort for the growth would involve modeling each of these phenomena and also the coupling between these. As a first step, the crystallization and dissolution kinetics were idealized and the growth rates as determined purely by transport were investigated. The growth rates thus obtained were termed ‘transport determined growth rates’ and in principle are the maximum growth rates that can be obtained for a given configuration of the system. Using this concept, a parametric study was conducted primarily on the geometric and the thermal boundary conditions of the system to optimize the ‘transport determined growth rate’ and determine conditions when transport might be a bottleneck.

Shocked Flows Induced by Supersonic Projectiles Moving in Tubes

A numerical study on shocked flows induced by a supersonic projectile moving in tubes is described in this paper. The dispersion-controlled scheme was adopted to solve the Euler equations implemented with moving boundary conditions. Four test cases were carried out in the present study: the first two cases are for validation of numerical algorithms and verification of moving boundary conditions, and the last two cases are for investigation into wave dynamic processes induced by the projectile moving at Mach numbers of M-p = 2.0 and 2.4, respectively, in a short time duration after the projectile was released from a shock tube into a big chamber. It was found that complex shock phenomena exist in the shocked flow, resulting from shock-wave/projectile interaction, shock-wave focusing, shock-wave reflection and shock-wave/contact-surface interactions, from which turbulence and vortices may be generated. This is a fundamental study on complex shock phenomena, and is also a useful investigation for understanding on shocked flows in the ram accelerator that may provide a highly efficient facility for launching hypersonic projectiles.

On a Degenerate Parabolic Problem in Holder Spaces

In this paper, we study some degenerate parabolic equation with Cauchy-Dirichlet boundary conditions. This problem is considered in little Holder spaces. The optimal regularity of the solution v is obtained and is specified in terms of those of the second member when some conditions upon the Holder exponent with respect to the degeneracy are satisfied. The proofs mainly use the sum theory of linear operators with or without density of domains and the results of smoothness obtained in the study of some abstract linear differential equations of elliptic type.

Statistical Simulation of Rarefied Gas Flows in Micro-Channels

Rarefied gas flows through micro-channels are simulated using particle approaches, named as the information preservation (IP) method and the direct simulation Monte Carlo (DSMC) method. In simulating the low speed flows in long micro-channels the DSMC method encounters the problem of large sample size demand and the difficulty of regulating boundary conditions at the inlet and outlet. Some important computational issues in the calculation of long micro-channel flows by using the IP method, such as the use the conservative form of the mass conservation equation to guarantee the adjustment of the inlet and outlet boundary conditions and the super-relaxation scheme to accelerate the convergence process, are addressed. Stream-wise pressure distributions and mass fluxes through micro-channels given by the IP method agree well with experimental data measured in long micro-channels by Pong et al. (with a height to length ratio of 1.2:3000), Shih et al. (l.2:4800), Arkilic et al. and Arkilic (l.3:7500), respectively. The famous Knudsen minimum of normalized mass flux is observed in IP and DSMC calculations of a short micro-channel over the entire flow regime from continuum to free molecular, whereas the slip Navier-Stokes solution fails to predict it.

A Constrained Particle Dynamics for Continuum-Particle Hybrid Method in Micro- and Nano-Fluidics

A hybrid method of continuum and particle dynamics is developed for micro- and nano-fluidics, where fluids are described by a molecular dynamics (MD) in one domain and by the Navier-Stokes (NS) equations in another domain. In order to ensure the continuity of momentum flux, the continuum and molecular dynamics in the overlap domain are coupled through a constrained particle dynamics. The constrained particle dynamics is constructed with a virtual damping force and a virtual added mass force. The sudden-start Couette flows with either non-slip or slip boundary condition are used to test the hybrid method. It is shown that the results obtained are quantitatively in agreement with the analytical solutions under the non-slip boundary conditions and the full MD simulations under the slip boundary conditions.

Pull-In Instability Of Micro-Switch Actuators: Model Review

The existing three widely used pull-in theoretical models (i.e., one-dimensional lumped model, linear supposition model and planar model) are compared with the nonlinear beam mode in this paper by considering both cantilever and fixed-fixed type micro and nano-switches. It is found that the error of the pull-in parameters between one-dimensional lumped model and the nonlinear beam model is large because the denominator of the electrostatic force is minimal when the electrostatic force is computed at the maximum deflection along the beam. Since both the linear superposition model and the slender planar model consider the variation of electrostatic force with the beam's deflection, these two models not only are of the same type but also own little error of the pull-in parameters with the nonlinear beam model, the error brought by these two models attributes to that the boundary conditions are not completely satisfied when computing the numerical integration of the deflection.

Tensionless Contact Of A Finite Beam Resting On Reissner Foundation

A more generalized model of a beam resting on a tensionless Reissner foundation is presented. Compared with the Winkler foundation model, the Reissner foundation model is a much improved one. In the Winkler foundation model, there is no shear stress inside the foundation layer and the foundation is assumed to consist of closely spaced, independent springs. The presence of shear stress inside Reissner foundation makes the springs no longer independent and the foundation to deform as a whole. Mathematically, the governing equation of a beam on Reissner foundation is sixth order differential equation compared with fourth order of Winkler one. Because of this order change of the governing equation, new boundary conditions are needed and related discussion is presented. The presence of the shear stress inside the tensionless Reissner foundation together with the unknown feature of contact area/length makes the problem much more difficult than that of Winkler foundation. In the model presented here, the effects of beam dimension, gap distance, loading asymmetry and foundation shear stress on the contact length are all incorporated and studied. As the beam length increases, the results of a finite beam with zero gap distance converge asymptotically to those obtained by the previous model for an infinitely long beam. (C) 2008 Elsevier Ltd. All rights reserved.

Thermal fatigue on pistons induced by shaped high power laser. Part II: Design of spatial intensity distribution via numerical simulation

In the laser induced thermal fatigue simulation test on pistons, the high power laser was transformed from the incident Gaussian beam into a concentric multi-circular pattern with specific intensity ratio. The spatial intensity distribution of the shaped beam, which determines the temperature field in the piston, must be designed before a diffractive optical element (DOE) can be manufactured. In this paper, a reverse method based on finite element model (FEM) was proposed to design the intensity distribution in order to simulate the thermal loadings on pistons. Temperature fields were obtained by solving a transient three-dimensional heat conduction equation with convective boundary conditions at the surfaces of the piston workpiece. The numerical model then was validated by approaching the computational results to the experimental data. During the process, some important parameters including laser absorptivity, convective heat transfer coefficient, thermal conductivity and Biot number were also validated. Then, optimization procedure was processed to find favorable spatial intensity distribution for the shaped beam, with the aid of the validated FEM. The analysis shows that the reverse method incorporated with numerical simulation can reduce design cycle and design expense efficiently. This method can serve as a kind of virtual experimental vehicle as well, which makes the thermal fatigue simulation test more controllable and predictable. (C) 2007 Elsevier Ltd. All rights reserved.

First-passage failure of quasi-integrable Hamiltonian systems

The first-passage failure of quasi-integrable Hamiltonian si-stems (multidegree-of-freedom integrable Hamiltonian systems subject to light dampings and weakly random excitations) is investigated. The motion equations of such a system are first reduced to a set of averaged Ito stochastic differential equations by using the stochastic averaging method for quasi-integrable Hamiltonian systems. Then, a backward Kolmogorov equation governing the conditional reliability function and a set of generalized Pontryagin equations governing the conditional moments of first-passage time are established. Finally, the conditional reliability function, and the conditional probability density and moments of first-passage time are obtained by solving these equations with suitable initial and boundary conditions. Two examples are given to illustrate the proposed procedure and the results from digital simulation are obtained to verify the effectiveness of the procedure.

First-passage time of Duffing oscillator under combined harmonic and white-noise excitations

The first-passage time of Duffing oscillator under combined harmonic and white-noise excitations is studied. The equation of motion of the system is first reduced to a set of averaged Ito stochastic differential equations by using the stochastic averaging method. Then, a backward Kolmogorov equation governing the conditional reliability function and a set of generalized Pontryagin equations governing the conditional moments of first-passage time are established. Finally, the conditional reliability function, and the conditional probability density and moments of first-passage time are obtained by solving the backward Kolmogorov equation and generalized Pontryagin equations with suitable initial and boundary conditions. Numerical results for two resonant cases with several sets of parameter values are obtained and the analytical results are verified by using those from digital simulation.

Size effects on the melting of nickel nanowires: a molecular dynamics study

The melting process of nickel nanowires are simulated by using molecular dynamics with the quantum Sutten-Chen many-body force field. The wires studied were approximately cylindrical in cross-section and periodic boundary conditions were applied along their length; the atoms were arranged initially in a face-centred cubic structure with the [0 0 1] direction parallel to the long axis of the wire. The size effects of the nanowires on the melting temperatures are investigated. We find that for the nanoscale regime, the melting temperatures of Ni nanowires are much lower than that of the bulk and are linear with the reciprocal of the diameter of the nanowire. When a nanowire is heated up above the melting temperature, the neck of the nanowire begins to arise and the diameter of neck decreases rapidly with the equilibrated running time. Finally, the breaking of nanowire arises, which leads to the formation of the spherical clusters. (C) 2004 Elsevier B.V. All rights reserved.

Modeling, numerical methods, and simulation for particle-fluid two-phase flow problems

In this paper, we study the issues of modeling, numerical methods, and simulation with comparison to experimental data for the particle-fluid two-phase flow problem involving a solid-liquid mixed medium. The physical situation being considered is a pulsed liquid fluidized bed. The mathematical model is based on the assumption of one-dimensional flows, incompressible in both particle and fluid phases, equal particle diameters, and the wall friction force on both phases being ignored. The model consists of a set of coupled differential equations describing the conservation of mass and momentum in both phases with coupling and interaction between the two phases. We demonstrate conditions under which the system is either mathematically well posed or ill posed. We consider the general model with additional physical viscosities and/or additional virtual mass forces, both of which stabilize the system. Two numerical methods, one of them is first-order accurate and the other fifth-order accurate, are used to solve the models. A change of variable technique effectively handles the changing domain and boundary conditions. The numerical methods are demonstrated to be stable and convergent through careful numerical experiments. Simulation results for realistic pulsed liquid fluidized bed are provided and compared with experimental data. (C) 2004 Elsevier Ltd. All rights reserved.

Compact finite difference - Fourier spectral method for three-dimensional incompressible Navier-Stokes equations

A new compact finite difference-Fourier spectral hybrid method for solving the three dimensional incompressible Navier-Stokes equations is developed in the present paper. The fifth-order upwind compact finite difference schemes for the nonlinear convection terms in the physical space, and the sixth-order center compact schemes for the derivatives in spectral space are described, respectively. The fourth-order compact schemes in a single nine-point cell for solving the Helmholtz equations satisfied by the velocities and pressure in spectral space is derived and its preconditioned conjugate gradient iteration method is studied. The treatment of pressure boundary conditions and the three dimensional non-reflecting outflow boundary conditions are presented. Application to the vortex dislocation evolution in a three dimensional wake is also reported.

Diffusion dominated process for the crystal growth of a binary alloy

The pure diffusion process has been often used to study the crystal growth of a binary alloy in the microgravity environment. In the present paper, a geometric parameter, the ratio of the maximum deviation distance of curved solidification and melting interfaces from the plane to the radius of the crystal rod, was adopted as a small parameter, and the analytical solution was obtained based on the perturbation theory. The radial segregation of a diffusion dominated process was obtained for cases of arbitrary Peclet number in a region of finite extension with both a curved solidification interface and a curved melting interface. Two types of boundary conditions at the melting interface were analyzed. Some special cases such as infinite extension in the longitudinal direction and special range of Peclet number were reduced from the general solution and discussed in detail.

Study on cracked spherical shells

The local-global anatysis method is systematically extended to the fracture analysis of spherical shells. On the basis of the shallow shell theory, which takes into account transverse shear deformations, governing equations for cracked spherical shells expressed in displacement and stress functions f, F and φ are proposed, and then a general solution including Modes, Ⅰ, Ⅱ, Ⅲ for stress-strain fields at crack tip in a spherical shell is obtained, which plays the same role as Williams's expansion in plane elasticity. The numerical results for finite-size spherical shells under different boundary conditions have been obtained. Furthermore, the bulging factors are analyzed with regard to shearing stiffness and an approximate formula is given.