A k.p model for hole capture into a quantum well

A k.p model for hole capture into a quantum well has been applied to the calculation of the rates for capture via phonon and alloy scattering into a 30Å In_0.7Ga_0.3As-InGaAsP quantum well, a system which is suitable for lasers operating at 1.55 μm. The well has three subbands, derived from the HH1, LH1 and HH2 zone centre states. Capture of holes into the HH2 subband is predicted to be dominated by polar optical phonon emission, whereas scattering into the other two bands proceeds mainly by non-polar optical phonon emission or alloy scattering. There is structure in the capture rate plotted as a function of the energy and in-plane wavevector of the incident hole, which is attributed to instances where incident holes in barrier states undergo strong transmission into the well region. Mixing between the quantum well subbands is important through the effect upon the density of final states in capture transitions, but is less significant with respect to its effect on the scattering matrix elements.     

Degenerate Electron Gas at Finite Temperatures. II

The degenerate high density electron gas is considered at finite temperatures using SOMMERFELD 's expansion. In particular the energy and the life time of one-particle excitations are investigated. For this purpose the real part of the self energy function is calculated up to the order e⁴. Using results derived in [4] the spectral function A(poM) = 2 JmG(poM) can be given explicitely. Furthermore an equation of state and a correct expression for the specific heat are given, the latter containing additional terms to the result of GELL -MANN .     

Finite element modeling of a microparticle manipulator

The contactless movement of microparticles and cells to known locations within a fluid volume is of interest in the fields of microtechnology and life sciences. A device which can position such inhomogeneities suspended in a fluid at multiple locations is described and modeled. The device consists of a thin fluid layer contained in a channel etched into a silicon wafer. Waves are excited by a macro-piezoelectric plate with electrodes on the top and bottom surfaces and, as a result, waves propagate into the adjacent fluid. The result is a pressure field throughout the fluidic volume. When an inhomogeneity in a fluid is exposed to an ultrasonic field the acoustic radiation force results; this is found by integrating the pressure over the surface of the particle, retaining second order terms, and taking the time average. Thus, due to the presence of a pressure field in the fluid in which the particles are suspended, a force field is created. The particles are then collected at the locations of the force potential minima. In the device described here, the force field is used to position particles into lines. The locations of the particles are predicted by using a finite element model of the system. The experimental and modeling results, presented here, are in good agreement.     

Finite difference computation of head-related transfer function for human hearing

Modeling the head-related transfer function (HRTF) is a key to many applications in spatial audio. To understand and predict the effects of head geometry and the surrounding environment on the HRTF, a three-dimensional finite-difference time domain model (3D FDTD) has been developed to simulate acoustic wave interaction with a human head. A perfectly matched layer (PML) is used to absorb outgoing waves at the truncated boundary of an unbounded medium. An external source is utilized to reduce the computational domain size through the scattered-field/total-field formulation. This numerical model has been validated by analytical solutions for a spherical head model. The 3D FDTD code is then used as a computational tool to predict the HRTF for various scenarios. In particular, a simplified spherical head model is compared to a realistic head model up to about 7 kHz. The HRTF is also computed for a realistic head model in the presence of a wall. It is demonstrated that this 3D FDTD model can be a useful tool for spatial audio applications.     

Five-level k · p model for conduction electrons in GaAs. Description of cyclotron resonance experiments

Five-level k·p model for the conduction electrons in GaAs in the presence of a quantising magnetic field is developed and used to describe spin splittings of the cyclotron resonance and the donor-shifted cyclotron resonance peaks, observed in this material up to fields of 22.5 T. It is shown that the spin splittings are insensitive to polaron effects and that their values can be very well described by the model.Required band parameters correctly account for the rate of electron spin relaxation in GaAs due to inversion asymmetry, as determined by other authors.     

Finite element modeling of the deformation of magnetoelastic film

Recently a new class of biocompatible elastic polymers loaded with small ferrous particles, a magnetoelastic polymer, has been developed. This engineered material is formed into a thin film using spin casting. An applied magnetic field will deform the film. The magnetic deformation of this film has many possible applications, particularly in microfluidic pumps and pressure regulators. In this paper a finite element method suitable for the transient simulation of arbitrarily shaped three-dimensional magnetoelastic polymers subjected to time-varying magnetic fields is developed. The approach is similar to that employed in finite elment magnetohydrodynamic simulations, the key difference is a more complex hyperelastic material model. In order to confirm the validity of the approach, finite element solutions for an axially symmetric thin film are compared to an analytical solution based on the membrane (infinitely thin) approximation. For this particular problem the two approaches give qualitatively similar results and converge as the film thickness approaches zero.     

Discrete phase space I. Finite difference operators and lattice Schrödinger wave equation

A new representation of quantum mechanics involving finite difference operators is presented. The time-dependent Schrödinger wave equation is furnished as a partialdifference-differential equation. This wave equation is solved exactly for a three-dimensional oscillator.It is emphasized that this representation is exact and not a numerical approximation.     

Finite difference method calculations of X-ray absorption fine structure for copper

The finite difference method is extended to calculate X-ray absorption fine structure (XAFS) for solid state copper. These extensions include the incorporation of a Monte Carlo frozen phonon technique to simulate the effect of thermal vibrations under a correlated Debye–Waller model, and the inclusion of broadening effects from inelastic processes. Spectra are obtained over an energy range in excess of 300 eV above the K absorption edge—more than twice the greatest energy range previously reported for a solid state calculation using this method. We find this method is highly sensitive to values of the photoelectron inelastic mean free path, allowing us to probe the accuracy of current models of this parameter, particularly at low energies. We therefore find that experimental data for the photoelectron inelastic mean free path can be obtained by this method. Our results compare favourably with high precision measurements of the X-ray mass attenuation coefficient for copper, reaching agreement to within 3%, and improving previous results using the finite difference method by an order of magnitude.     

Mathematical modeling of randomness and fuzziness phenomena in scientific studies. II. Applications

This paper considers some elements of the optimal fuzzy decision theory that are similar to the optimal statistical decision theory, in particular, the theory of optimal fuzzy identification and optimal fuzzy hypothesis testing, such as Neyman–Pearson statistical hypothesis testing and optimal fuzzy estimation along with a sequential fuzzy identification algorithm similar to the Wald sequential statistical criterion. Some elements of the fuzzy measuring and computing transducer theory and its applications in the problems of the analysis and interpretation of measurement experiment data are given.     

Exact results in modeling planetary atmospheres—II. Semi-gray atmospheres

We solve the radiative transfer equation for a semi-gray planetary atmosphere in radiative equilibrium, in an attempt to define an entirely analytical non-gray model atmosphere of finite optical thickness. The salient feature of the model is that the incident solar radiation is partitioned between two adjacent spectral domains—the “visible” and the “infrared”—in each of which the atmosphere's (effective) opacity is assumed to be independent of frequency (the semi-gray assumption). We envisage a plane-parallel atmosphere illuminated by a beam of parallel radiation and bounded below by a partially reflecting and emitting ground. The former emits infrared radiation, induced by the absorption of radiation both visible and infrared, deriving from the external irradiation as well as from the emission of the planet's surface layer. For an atmosphere with given single-scattering albedos and optical thicknesses in both the visible and infrared domains, we compute the temperature at every depth of the atmosphere, as well as the ground's temperature.     

环形狭缝腔阵列光学特性的研究

设计了一种六角密排的二维环形纳米腔阵列结构, 利用时域有限差分算法对该结构的光学特性进行了探究. 仿真结果表明, 在线性偏振光入射时, 环形腔内可以形成多重圆柱形表面等离激元谐振, 谐振波长的个数和大小与环形腔的结构参数相关. 根据透、反射光谱, 电场矢量的模式分布及截面电荷密度的分布, 谐振波长处形成圆柱形表面等离激元, 谐振波长处入射光能量大部分在环形腔内损耗, 此时反射率为极小值, 环形腔内的电场增强效应为极大值(光强增强可达1065倍). 谐振波长与环形腔的结构参数(狭缝内径、狭缝外径、膜厚、环境介质折射率、金属的材质)相关, 通过调节结构参数, 谐振波长在350–2000 nm范围内可调. 通过对比相同结构参数的单个环形腔和环形腔阵列的仿真结果, 周期排布对环形腔内的圆柱形表面等离激元吸收峰位置影响不明显. 该结构反射光谱对入射光电矢量偏振方向不敏感. 谐振波长的可调控性对于表面拉曼增强和表面等离激元共振传感器的设计与优化具有指导性意义, 且应用于折射率传感器时灵敏度可达1850 nm/RIU.     

Finite difference computation of acoustic scattering by small surface inhomogeneities and discontinuities

The use of finite difference schemes to compute the scattering of acoustic waves by surfaces made up of different materials with sharp surface discontinuities at the joints would, invariably, result in the generations of spurious reflected waves of numerical origin. Spurious scattered waves are produced even if a high-order scheme capable of resolving and supporting the propagation of the incident wave is used. This problem is of practical importance in jet engine duct acoustic computation. In this work, the basic reason for the generation of spurious numerical waves is first examined. It is known that when the governing partial differential equations of acoustics are discretized, one should only use the long waves of the computational scheme to represent or simulate the physical waves. The short waves of the computational scheme have entirely different propagation characteristics. They are the spurious numerical waves. A method by which high wave number components (short waves) in the wave scattering process is intentionally removed so as to minimize the scattering of spurious numerical waves is proposed. This method is implemented in several examples from computational aeroacoustics to illustrate its effectiveness, accuracy and efficiency. This method is also employed to compute the scattering of acoustic waves by scatterers, such as rigid wall acoustic liner splices, with width smaller than the computational mesh size. Good results are obtained when comparing with computed results using much smaller mesh size. The method is further extended for applications to computations of acoustic wave reflection and scattering by very small surface inhomogeneities with simple geometries.     

Finite difference modelling of the temperature rise in non-linear medical ultrasound fields

Non-linear propagation of ultrasound can lead to increased heat generation in medical diagnostic imaging due to the preferential absorption of harmonics of the original frequency. A numerical model has been developed and tested that is capable of predicting the temperature rise due to a high amplitude ultrasound field. The acoustic field is modelled using a numerical solution to the Khokhlov-Zabolotskaya-Kuznetsov (KZK) equation, known as the Bergen Code, which is implemented in cylindrical symmetric form. A finite difference representation of the thermal equations is used to calculate the resulting temperature rises. The model allows for the inclusion of a number of layers of tissue with different acoustic and thermal properties and accounts for the effects of non-linear propagation, direct heating by the transducer, thermal diffusion and perfusion in different tissues. The effect of temperature-dependent skin perfusion and variation in background temperature between the skin and deeper layers of the body are included. The model has been tested against analytic solutions for simple configurations and then used to estimate temperature rises in realistic obstetric situations. A pulsed 3 MHz transducer operating with an average acoustic power of 200 mW leads to a maximum steady state temperature rise inside the foetus of 1.25 degrees C compared with a 0.6 degree C rise for the same transmitted power under linear propagation conditions. The largest temperature rise occurs at the skin surface, with the temperature rise at the foetus limited to less than 2 degrees C for the range of conditions considered.     

Finite difference time domain analysis of a photonic crystal substrate patch antenna

Planar microstrip patch antennas can achieve a wide range of radiation patterns. However, due to surface-wave losses, they have low bandwidth, low gain, and a potential decrease in radiation efficiency. In order to minimize the surface-wave effects, a photonic-band gap (PBG) substrate is proposed. The PBG structure significantly diminishes the surface-wave modes and thus improves the gain and far-field radiation pattern and efficiency. In this paper, using FDTD, an accurate full-wave analysis of surface-wave propagation in a rectangular microstrip patch antenna with and without PBG is presented. Finally, the antenna fabricated and result of measurement was compared with numerical simulation.     

Molecular modeling of a series of dehydroquinate dehydratase type II inhibitors of Mycobacterium tuberculosis and design of new binders

Molecular Diversity - Tuberculosis, caused by Mycobacterium tuberculosis (M. tuberculosis), is still responsible for a large number of fatal cases, especially in developing countries with alarming...     

Finite difference simulation of nonlinear waves generated by ships of arbitrary three-dimensional configuration

A modified marker-and-cell method is developed in order to simulate nonlinear wave making in the near-field of ships of arbitrary three-dimensional (3D) configuration advancing steadily in deep water. The 3D Navier-Stokes equations are solved by a finite difference scheme under proper boundary conditions. Efforts are particularly focused on the treatment of the boundary conditions on the body surface and free surface which have complicated 3D configurations. An orthogonal cell system with more than 70,000 cells is used for the computation of the waves and flow field of ships. The agreement of computational results with experiment is good, and it promises effectiveness for engineering purposes.