Two-dimensional numerical simulation of the channel electron in an In0.52Al0.48As/In0.53Ga0.48As HEMT

A two-dimensional quantum model based on the solution of Schrodinger and Poisson equations is first presented for In0.52Al0.48As/In0.53Ga0.47As/InP HEMT. According to the model, the two-dimensional distributions of electron density and transverse electric field in the channel of InAlAs/InGaAs HEMT are discussed.

Large excitation-power dependence of pressure coefficients of InxGa1-xN/InyGa1-yN quantum wells

Excitation-power dependence of hydrostatic pressure coefficients (dE/dP) of InxGa1-xN/InyGa1-yN multiple quantum wells is reported. When the excitation power increases from 1.0 to 33 mW, dE/dP increases from 26.9 to 33.8 meV/GPa, which is an increase by 25%. A saturation behavior of dE/dP with the excitation power is observed. The increment of dE/dP with increasing carrier density is explained by an reduction of the internal piezoelectric field due to an efficient screening effect of the free carriers on the field.

Growth and structural properties of GaN films on flat and vicinal SiC(0001) substrates

Initial stage GaN growth by molecular-beam epitaxy (MBE) on SiC(0001) substrate is followed by in situ scanning tunneling microscopy. Comparison is made between growth on nominally flat and vicinal substrate surfaces and the results reveal characteristic differences between the two. Ex situ transmission electron microscopy (TEM) and X-ray diffraction (XRD) rocking curve measurements of the films show lower density of defects and better structural quality of the vicinal film. We suggest the improved structural quality of the vicinal film is related to the characteristic difference in its initial stage nucleation and coalescence proccsses than that of the flat film.

Defect states in cubic GaN epilayer grown on GaAs by metalorganic vapor phase epitaxy

Defect states in cubic GaN epilayers grown on GaAs were investigated with the photoluminescence technique. One shallow donor and two acceptors were identified to be involved in relevant optical transitions. The binding energies of the free excitons, the bound excitons. the donor and the acceptors were determined. These values are in good agreement with recent theoretical results.

Structural and photoelectric studies on double barrier quantum well infrared detectors

GaAs/AlAs/GaAlAs double barrier quantum well (DBQW) structures are employed for making the 3 similar to 5 mu m photovoltaic infrared (IR) detectors with a peak detectivity of 5x10(11) cmHz(1/2)/W at 80K. The double crystal x-ray diffraction is combined with synchrotron radiation x-ray analysis to determine the exact thickness of GaAs, AlAs and GaAlAs sublayers. The interband photovoltaic (PV) spect ra of the DBQW sample and the spectral response of the IR photocurrent of the devices are measured directly by edge excitation method, providing the information about spatial separation processes of photogenerated carriers in the multiquantum wells and the distribution of built-in field in the active region.

Molecular-dynamics investigation on polarization retention of barium titanate nanofilm arising from ordered oxygen vacancy

Molecular-dynamics simulations have been carried out to investigate the electric hysteresis of barium titanate nanofilm containing oxygen vacancy ordering array parallel to the {101} crystal plane. The results obtained show a significant weakening of polarization retention from non-zero value to zero as the size of the array was reduced to a critical level, which was attributed to the formation and motion of head-to-head domain wall structure under external field loading process. By comparing with materials containing isolated oxygen vacancies, it was found that the zero retention was due to the oxygen vacancy ordering array rather than to the concentration of oxygen vacancy. Copyright (C) EPLA, 2010

Small-scale turbulent fluctuations beyond Taylor's frozen-flow hypothesis

The space-time cross-correlation function C-T(r, tau) of local temperature fluctuations in turbulent Rayleigh-Benard convection is obtained from simultaneous two-point time series measurements. The obtained C-T(r, tau) is found to have the scaling form C-T(r(E), 0) with r(E)=[(r-U tau)(2)+ V-2 tau(2)](1/2), where U and V are two characteristic velocities associated with the mean and rms velocities of the flow. The experiment verifies the theory and demonstrates its applications to a class of turbulent flows in which the requirement of Taylor's frozen flow hypothesis is not met.

Mechanical Behavior of Nanometer Ni by MD Simulation

The indention simulation of the crystal Ni is carried out by molecular dynamics technique (MD) to study the mechanical behavior at nanometer scales, the indenter tips with sphere shape is used. Some defects such as dislocations, point defects are observed. It is found that defects (dislocations, amorphous) nucleated is from local region near the pin tip or the sample surface. The temperature distribution of local region is analyzed and it can explain our MD simulation result.

Nano-size Effect of Interface Energy and Its Effect on Interface Fracture

An analytical model about size-dependent interface energy of metal/ceramic interfaces in nanoscale is developed by introducing both the chemical energy and the structure stain energy contributions. The dependence of interface energy on the interface thickness is determined by the melting enthalpy, the molar volume, and the shear modulus of two materials composing the interfaces, etc. The analytic prediction of the interface energy and the atomic scale simulation of the interface fracture strength are compared with each other for Ag/MgO and Ni/Al2O3 interfaces, the fracture strength of the interface with the lower chemical interface energy is found to be larger. The potential of Ag/MgO interface related to the interface energy is calculated, and the interface stress and the interface fracture strength are estimated further. The effect of the interface energy on the interface strength and the behind mechanism are discussed.

Kinetic Studies of Gas Flows

Our recent studies on kinetic behaviors of gas flows are reviewed in this paper. These flows have a wide range of background, but share a common feature that the flow Knudsen number is larger than 0.01. Thus kinetic approaches such as the direct simulation Monte Carlo method are required for their description. In the past few years, we studied several micro/nano-scale flows by developing novel particle simulation approach, and investigated the flows in low-pressure chambers and at high altitude. In addition, the microscopic behaviors of a couple of classical flow problems were analyzed, which shows the potential for kinetic approaches to reveal the microscopic mechanism of gas flows.

Study on the Mechanism of Detonation to Quasi-detonation Transition

In this paper, the mechanism of detonation to quasi-detonation transition was discussed, a new physical model to simulate quasi-detonation was proposed, and one-dimensional theoretical and numerical simulation was conducted. This study firstly demonstrates that the quasi-detonation is of thermal choking. If the conditions of thermal choking are created by some disturbances, the supersonic flow is then unable to accept additional thermal energy, and the CJ detonation becomes the unstable quasi-detonation precipitately. The kinetic energy loss caused by this transition process is firstly considered in this new physical model. The numerical results are in good agreement with previous experimental observations qualitatively, which demonstrates that the quasi-detonation model is physically correct and the study are fundamentally important for detonation and supersonic combustion research.

Splitting the Fast and Slow Motions in Molecular Dynamics Simulations Based on the Change of Cold Potential Well Bottom

The atomic motion is coupled by the fast and slow components due to the high frequency vibration of atoms and the low frequency deformation of atomic lattice, respectively. A two-step approximate method was presented to determine the atomic slow motion. The first step is based on the change of the location of the cold potential well bottom and the second step is based on the average of the appropriate slow velocities of the surrounding atoms. The simple tensions of one-dimensional atoms and two-dimensional atoms were performed with the full molecular dynamics simulations. The conjugate gradient method was employed to determine the corresponding location of cold potential well bottom. Results show that our two-step approximate method is appropriate to determine the atomic slow motion under the low strain rate loading. This splitting method may be helpful to develop more efficient molecular modeling methods and simulations pertinent to realistic loading conditions of materials.

Heat Transfer Problems Induced By Multi-shocks Interaction

Numerical simulations of the multi-shock interactions observable around hypersonic vehicles were carried out by solving Navier-Stokes equations with the AUSMPW scheme and the new type of the IV interaction created by two incident shock waves was investigated in detail. Numerical results show that the intersection point of the second incident shock with the bow shock plays important role on the flow pattern, peak pressures and heat fluxes. In the case of two incident shocks interacting with the bow shock at the same position, the much higher peak pressure and more severe heat transfer rate are induced than the classical IV interaction. The phenomenon is referred to as the multi-shock interaction and higher requirements will be imposed on thermal protection systems.

A New High Order Accurate Shock Capture Method with Wave Booster

A new kind of shock capturing method is developed. Before applying the high order accurate traditional scheme which is called as base scheme in this paper the fluid parameters are preconditioned in order to control the group velocity. The newly constructed scheme is high order accurate, simple, has high resolution of the shock, and less computer time consumed.

Parallel Fully-Implicit Computation of Magnetohydrodynamics Acceleration Experiments

A three-dimensional MHD solver is described in the paper. The solver simulates reacting flows with nonequilibrium between translational-rotational, vibrational and electron translational modes. The conservation equations are discretized with implicit time marching and the second-order modified Steger-Warming scheme, and the resulted linear system is solved iteratively with Newton-Krylov-Schwarz method that is implemented by PETS,: package. The results of convergence tests arc plotted, which show good scalability and convergence around twice faster when compared with the DPLR method. Then five test runs are conducted simulating the experiments done at the NASA Ames MHD channel, and the calculated pressures, temperatures, electrical conductivity, back EMF, load factors and flow accelerations are shown to agree with the experimental data. Our computation shows that the electrical conductivity distribution is not uniform in the powered section of the MHD channel, and that it is important to include Joule heating in order to calculate the correct conductivity and the MHD acceleration.