A smoothing technique for discrete delta functions with application to immersed boundary method in moving boundary simulations.

The effects of complex boundary conditions on flows are represented by a volume force in the immersed boundary methods. The problem with this representation is that the volume force exhibits non-physical oscillations in moving boundary simulations. A smoothing technique for discrete delta functions has been developed in this paper to suppress the non-physical oscillations in the volume forces. We have found that the non-physical oscillations are mainly due to the fact that the derivatives of the regular discrete delta functions do not satisfy certain moment conditions. It has been shown that the smoothed discrete delta functions constructed in this paper have one-order higher derivative than the regular ones. Moreover, not only the smoothed discrete delta functions satisfy the first two discrete moment conditions, but also their derivatives satisfy one-order higher moment condition than the regular ones. The smoothed discrete delta functions are tested by three test cases: a one-dimensional heat equation with a moving singular force, a two-dimensional flow past an oscillating cylinder, and the vortex-induced vibration of a cylinder. The numerical examples in these cases demonstrate that the smoothed discrete delta functions can effectively suppress the non-physical oscillations in the volume forces and improve the accuracy of the immersed boundary method with direct forcing in moving boundary simulations.

Large-eddy simulation of flows past a flapping airfoil using immersed boundary method

The numerical simulation of flows past flapping foils at moderate Reynolds numbers presents two challenges to computational fluid dynamics: turbulent flows and moving boundaries. The direct forcing immersed boundary (IB) method has been devel- oped to simulate laminar flows. However, its performance in simulating turbulent flows and transitional flows with moving boundaries has not been fully evaluated. In the present work, we use the IB method to simulate fully developed turbulent channel flows and transitional flows past a stationary/plunging SD7003 airfoil. To suppress the non-physical force oscillations in the plunging case, we use the smoothed discrete delta function for interpolation in the IB method. The results of the present work demonstrate that the IB method can be used to simulate turbulent flows and transitional flows with moving boundaries.

Molecular cloning and characterization of common carp (Cyprinus carpio L.) TCR gamma and CD3 gamma/delta chains

Partial cDNA sequences of TCR gamma and CD3 gamma/delta were isolated from the thymus of common carp (Cyprinus carpio L.) by the method of suppression subtractive hybridization (SSH). Subsequently the full length cDNAs of carp TCR gamma and CD3 gamma/delta were obtained by means of 3' RACE and 5' RACE, respectively. The full length of carp TCR gamma chain is 1368 bp and encodes 326 amino acids including a signal peptide region of 19 amino acids and a transmembrane region of 23 amino acids at the C-terminal region from aa 291 to 313. The V region of carp TCR gamma contains 109 amino acids, the core motif FGXG in J segment was also found in carp TCR gamma. The C region of carp TCR gamma contains the characteristic CX6PX6WX45C motif. The CP region of carp TCR C gamma contains 37 amino acids. The full length of carp CD3 gamma/delta is 790 bp and encodes 175 amino acids including a signal peptide region of 17 amino acids and a transmembrane region of 23 amino acids from aa 93 to 115. Similar to other known CD3 gamma/delta s, four cysteine residues in the extracellular domain and an immunoreceptor tyrosine-based activation motif ITAM (YxxL/Ix6-8YxxL/I) in the intracellular domain are also included in carp CD3 gamma/delta. Differing from other known CD3 gamma/delta s, carp CD3 gamma/delta tacks the CXXCXE motif in the extracellular domain. RTPCR analysis demonstrated that the expression of TCR gamma gene was mainly in the thymus and gill of 6-month carp, but in 18-month carp, TCR gamma gene was detected in all the examined tissues. The expression of CD3 gamma/delta gene was detected in all examined tissues of 6 and 18-month carp; among them, the highest expression level was in the thymus of 6-month carp. In situ hybridization showed that CD3 gamma/delta-expressing cells were widely distributed in the head kidney, spleen and kidney of carp, whereas in the thymus, they were densely distributed in the lymphoid outer zone and scattered in the epithelioid inner zone. (c) 2007 Published by Etsevier Ltd.

Polarization effects simulation of AlGaN/GaN heterojunction by using a symbolistic delta-doping layer

Polarization effects in AlGaN/GaN heterojunction are simulated based on a traditional semiconductor device simulator. A delta doping layer is purposely inserted at the interface of the heterojunction in the simulation, so the ionized donors or acceptors can represent polarization-induced positive or negative fixed charges. The free electron distribution of single AlGaN/GaN heterostructures with Ga-face and N-face growth is compared, and the results of the simulation show that carrier confinement takes place only in the former structure. The dependence of sheet density of free electrons at the interface of Ga-face growth AlGaN/GaN on Al composition and the thickness of AlGaN is also investigated. The consistency of simulation results with the experiments and calculations reported by other researchers shows that this method can be effectively used to deal with the polarization effects in the simulation of GaN-based heterojunction devices. (C) 2004 Elsevier Ltd. All rights reserved.

Self-consistent analysis of double-delta-doped InAlAs/InGaAs/InP HEMTs

We have carried out a theoretical study of double-delta-doped InAlAs/InGaAs/InP high electron mobility transistor (HEMT) by means of the finite differential method. The electronic states in the quantum well of the HEMT are calculated self-consistently. Instead of boundary conditions, initial conditions are used to solve the Poisson equation. The concentration of two-dimensional electron gas (2DEG) and its distribution in the HEMT have been obtained. By changing the doping density of upper and lower impurity layers we find that the 2DEG concentration confined in the channel is greatly affected by these two doping layers. But the electrons depleted by the Schottky contact are hardly affected by the lower impurity layer. It is only related to the doping density of upper impurity layer. This means that we can deal with the doping concentrations of the two impurity layers and optimize them separately. Considering the sheet concentration and the mobility of the electrons in the channel, the optimized doping densities are found to be 5 x 10(12) and 3 x 10(12) cm(-2) for the upper and lower impurity layers, respectively, in the double-delta-doped InAlAs/InGaAs/InP HEMTs.

Photoluminescence studies on pseudomorphic delta-doped AlGaAs/InGaAs/GaAs quantum wells

Photoluminescence (PL) measurements were performed on several series of single-side Si-doped pseudomorphic high electron mobility transistors (p-HEMTs) quantum well (QW) samples, with different spacer layer widths, well widths and Si delta -doped concentrations , under different temperatures and excitation power densities. The dynamic competitive luminescence mechanism between the radiations of e2-hh1 and e1-hh1 was discussed in detail. The confining potential, subband energies, corresponding envelope functions, subband occupations and transferring efficiency etc., were calculated by self-consistent finite differential method at different temperatures in comparison with the present experiment results. The relative variation of the integrated luminescence intensity of the two transitions (e1-hh1 and e2-hh1) was found to be dependent on the temperature and the structure's properties, e. g. spacer layer width, dopant concentration and well width.

Growth and characterization of strained superlattices delta-GaNxAs1-x/GaAs by molecular beam epitaxy

A series of superlattices delta-GaNxAs1-x/GaAs were grown by a DC plasma-N-2-assisted molecular beam epitaxy. The evolution of the surface reconstruction during the growth has been studied with the use of in situ reflection high-energy electron diffraction. The superlattices have been characterized by high-resolution X-ray diffraction measurements. Distinct satellite peaks indicate that the superlattices are of good quality. The N compositions in strained GaNxAs1-x monolayers are obtained from the dynamical simulations of the measured X-ray diffraction patterns. The periodicity fluctuations of N composition are obtained from a kinematical method dependent on the broadening of the satellite peaks of the X-ray diffraction. (C) 2000 Elsevier Science B.V. All rights reserved.

Magnetic Properties of FePt Nanoparticles Prepared by a Micellar Method

FePt nanoparticles with average size of 9 nm were synthesized using a diblock polymer micellar method combined with plasma treatment. To prevent from oxidation under ambient conditions, immediately after plasma treatment, the FePt nanoparticle arrays were in situ transferred into the film-growth chamber where they were covered by an SiO2 overlayer. A nearly complete transformation of L1(0) FePt was achieved for samples annealed at temperatures above 700 A degrees C. The well control on the FePt stoichiometry and avoidance from surface oxidation largely enhanced the coercivity, and a value as high as 10 kOe was obtained in this study. An evaluation of magnetic interactions was made using the so-called isothermal remanence (IRM) and dc-demagnetization (DCD) remanence curves and Kelly-Henkel plots (Delta M measurement). The Delta M measurement reveals that the resultant FePt nanoparticles exhibit a rather weak interparticle dipolar coupling, and the absence of interparticle exchange interaction suggests no significant particle agglomeration occurred during the post-annealing. Additionally, a slight parallel magnetic anisotropy was also observed. The results indicate the micellar method has a high potential in preparing FePt nanoparticle arrays used for ultrahigh density recording media.

ELECTRONIC-STRUCTURES OF THE ALKALI-CONTAINING BUCKMINSTERFULLERENES (A-DELTA-C60) (A=LI,NA,K,RB,CS) AND THE HALOGEN-CONTAINING BUCKMINSTERFULLERENES (H-DELTA-C60) (H=F,CL,BR,I)

The geometrical parameters and electronic structures of C60, (A partial derivative C60) (A = Li, Na, K, Rb, Cs) and (H partial derivative C60) (H = F, Cl, Br, I) have been calculated by the EHMO/ASED (atom superposition and electron delocalization) method. When putting a central atom into the C60 cage, the frontier and subfrontier orbitals of (A partial derivative C60) (A = Li, Na, K, Rb, Cs) and (H partial derivative C60) (H = F, Cl) relative to those of C60 undergo little change and thus, from the viewpoint of charge transfer, A (A = Li, Na, K, Rb, Cs) and H (H = F, Cl) are simply electron donors and acceptors for the C60 cage resPeCtively. Br is an electron acceptor but it does influence the frontier and subfrontier MOs for the C60 cage, and although there is no charge transfer between I and the C60 cage, the frontier and subfrontier MOs for the C60 cage are obviously influenced by I. The stabilities DELTAE(X) (DELTAE(X) = (E(X) + E(C60)) - E(x partial derivative C60)) follow the sequence I < Br < None < Cl < F < Li < Na < K < Rb < Cs while the cage radii r follow the inverse sequence. The stability order and the cage radii order have been explained by means of the (exp-6-1) potential.

2-DELTA-FUNCTION GENERALIZED PLASMA POLE MODEL FOR 1ST PRINCIPLE CALCULATIONS OF QUASI-PARTICLE ENERGIES IN MANY-ELECTRON SYSTEMS

To evaluate the dynamical effects of the screened interaction in the calculations of quasiparticle energies in many-electron systems a two-delta-function generalized plasma pole model (GPP) is introduced to simulate the dynamical dielectric function. The usual single delta-function GPP model has the drawback of over simplifications and for the crystals without the center of symmetry is inappropriate to describe the finite frequency behavior for dielectric function matrices. The discrete frequency summation method requires too much computation to achieve converged results since ab initio calculations of dielectric function matrices are to be carried out for many different frequencies. The two-delta GPP model is an optimization of the two approaches. We analyze the two-delta GPP model and propose a method to determine from the first principle calculations the amplitudes and effective frequencies of these delta-functions. Analytical solutions are found for the second order equations for the parameter matrices entering the model. This enables realistic applications of the method to the first principle quasiparticle calculations and makes the calculations truly adjustable parameter free.

Large-eddy simulation of flows past a flapping airfoil using immersed boundary method

The numerical simulation of flows past flapping foils at moderate Reynolds numbers presents two challenges to computational fluid dynamics: turbulent flows and moving boundaries. The direct forcing immersed boundary (IB) method has been developed to simulate laminar flows. However, its performance in simulating turbulent flows and transitional flows with moving boundaries has not been fully evaluated. In the present work, we use the IB method to simulate fully developed turbulent channel flows and transitional flows past a stationary/plunging SD7003 airfoil. To suppress the non-physical force oscillations in the plunging case, we use the smoothed discrete delta function for interpolation in the IB method. The results of the present work demonstrate that the IB method can be used to simulate turbulent flows and transitional flows with moving boundaries.

Preparation and electrical properties of new oxide ion conductors Ce6-xDyxMoO15-delta (0.0 <= x <= 1.8)

Ce6-xDyxMoO15-delta (0.0 <= x <= 1.8) were synthesized by modified sol-gel method. Structural and electrical properties were investigated by means of X-ray diffraction (XRD), Raman, X-ray photoelectron spectroscopy (XPS) and electrochemical impedance spectroscopy (EIS). The XRD patterns showed that the materials were single phase with a cubic fluorite structure. Impedance spectroscopy measurement in the temperature range between 350 degrees C and 800 degrees C indicated a sharp increase in conductivity for the system containing small amount of Dy2O3. The Ce5.6Dy0.4MoO15-delta detected to be the best conducting phase with the highest conductivity (sigma(t) = 8.93 x 10(-3) S cm(-1)) is higher than that of Ce5.6Sm0.4MoO15-delta (sigma(t) = 2.93 x 10(-3) S cm(-1)) at 800 degrees C, and the corresponding activation energy of Ce5.6Dy0.4MoO15-delta (0.994 eV) is lower than that of Ce5.6Sm0.4MoO15-delta (1.002 eV).

Preparation and Electrical Properties of New Oxide Ion Conductors Ce6-xGdxMoO15-delta (0.0 <= x <= 1.8)

A series of oxide ion conductors Ce6-xGdxMoO15-delta (0.0 <= x <= 1.8) have been prepared by the sol-gel method. Their properties were characterized by differential thermal analysis/thermogravimetry (DTA/TG), X-ray diffraction (XRD), Raman, IR, X-ray photoelectron spectroscopy (XPS), and AC impedance spectroscopy. The XRD patterns showed that the materials were single phase with a cubic fluorite structure. The conductivity of Ce6-xGdxMoO15-delta increases as x increases and reaches the maximum at x = 0.15. The conductivity of Ce4.5Gd1.5MoO15-delta is sigma(t) = 3.6 x 10(-3) S/cm at 700 degrees C, which is higher than that of Ce4.5/6Gd1.5/6O2-delta (sigma(t) = 2.6 x 10(-3) S/cm), and the corresponding activation energy of Ce4.5Gd1.5MoO15-delta (0.92 eV) is lower than that of Ce4.5/6Gd1.5/6O2-delta (1.18 eV).

Synthesis and Electrical Properties of New Solid State Electrolyte Materials Ce6-xHoxMoO15-delta(0.0 <= x <= 1.2)

Ce6-xHoxMoO15-delta(0.0 <= x <= 1.2) was synthesized by modified sol-gel method and characterized by differential X-ray diffraction(XRD), Raman, and X-ray photoelectron spectroscopy(XPS) methods. The oxide ionic conductivity of the samples was investigated by AC impedance spectroscopy. It shows that all the samples are single phase with a cubic fluorite structure. The solid solution Ce6-xHoxMoO15-delta(x=0.6) was detected to be the best conducting phase with the highest conductivity(sigma(t)=1.05x10(-2) S/cm) at 800 degrees C and the lowest activation energy(E-a=1.09 eV). These properties suggest that this kind of material has a potential application in intermediate-low temperature solid oxide fuel cells.

Synthesis and electrical properties of new solid state. Electrolyte materials Ce5.2RE0.8MoO15-delta

A series of solid state electrolytes, Ce-5.2 RE0.8 MoO15-delta (RE = Y, La, Sm, Gd, Dy, Ho, Er), were synthesized by sol-gel method. Their structures and electrical conductivities were characterized by X-ray Diffraction (XRD), Raman and X-ray Photoelectron Spectroscopy (XPS) and AC impedance spectroscopy, respectively. The results show that the concentrations of oxygen vacancy increased with increasing x and their conductivity were improved. And the cell parameters increase as the radius of RE3+ increases. Because the ionic radius of doped Dy3+ (0.0908 nm) is closed to that of Ce4+ (0.0920 nm), their oxide has minimal cell elastic straining between RE3+ and oxygen vacancy, and the system has the least association enthalpy, thus the oxide Ce-5.2 Dy-0.8 MoO15-delta exhibits a higher conductivity (7.02 x 10(-3) S/cm) and lower activation energy (1.056 eV) compared to the other doped compounds.