An explicitly solvable kinetic model for semiconductors

We consider a simple model for the electron Boltzmann equation in a semiconductor and show that specific boundary value problems can be explicitly solved. Cases of both homogeneous and inhomogeneous electric fields are considered.     

A perturbation solution for bacterial growth and bioremediation in a porous medium with bio-clogging

We investigate a flow problem of relevance in bioremediation and develop a mathematical model for transport of contamination by groundwater and the spreading, confinement, and remediation of chemical waste. The model is based on the fluid mass and momentum balance equations and simultaneous transport and consumption of the pollutant (hydrocarbon) and nutrient (oxygen). Particular emphasis is placed on the study of processes involving the full coupling of reaction, transport and mechanical effects. Dimensional analysis and asymptotic reduction are used to simplify the governing equations, which are then solved numerically.     

The elastostatic three-dimensional boundary element method: analytical integration for linear isoparametric triangular elements

In this paper an analytical integration scheme is described that is designed to reduce the errors resulting from the numerical evaluation of integrals with singular integrands. The analytical scheme can be applied to linear triangular elements for use in elastostatic problems and is particularly useful for predicting distortion, to high accuracy, close to surfaces. It is demonstrated that although the analytical scheme takes longer computationally than the usual quadrature approach it is quicker when element subdivision is required to achieve reasonable accuracy. Numerical tests are performed on a simple test problem to demonstrate the advantages of the analytical approach, which is shown to be orders of magnitude more accurate than standard quadrature techniques.     

线材无模拉拔成形力数学模型研究

采用上限法确定了钨合金线材无模拉拔成形速度场及力能参数物理模型.分析了钨合金线材无模拉拔成形的变形模型、速度场以及力能参数的影响因素及影响规律,无模成形力能参数的影响因素主要有冷热源间距、断面减缩率、变形温度、拉伸速度、冷热源移动速度以及材料种类等,为无模拉拔成形工艺工业化应用奠定基础.     

Fatigue Crack Nucleation at Σ3(1 1 2) Boundary in a Ferritic Stainless Steel

The effect of a geometrical relationship between a grain boundary (GB) plane and a tensile axis on intergranular fatigue cracking along 3(1 1 2) twin boundaries has been investigated in Fe-30%Cr alloy crystals. Fatigue experiments were carried out on the three kinds of the specimens containing the 3(1 1 2) twin boundary. It was found that the fatigue cracking behavior was sensitive to the geometry of the GB plane. In a specimen where both the GB plane and a slip vector lying in the GB plane in adjacent grains are inclined to the tensile axis at 45°, the fatigue cracks were nucleated preferentially along the twin boundary at a stress amplitude of 170 MPa. The specimen with the GB plane normal to the tensile axis showed that the fatigue crack was initiated from a slip band formed within a constituent grain at a stress amplitude of 300 MPa. When the GB plane was inclined to the tensile axis but the slip vector lying in the GB plane was normal to the tensile axis, development of additional slips formed perpendicular to the GB plane were observed at a specific site of the GB. Initiation of intergranular fatigue cracks at the site was recognized at a stress amplitude of 250 MPa. It can be suggested that the GB plane normal to the tensile axis provides the highest fatigue performance among them. The difference in the cracking property among these specimens could be understood in terms of the effective Schmid factor derived from elastically incompatible stress.     

二维矢量边界推进非结构网格生成方法

提出二维矢量边界推进生成非结构三角形网格方法并证明其可行性.根据流场边界尺度布置边界节点并运用矢量边界推进方法生成背景网格,运用符号面积函数和概率筛选方法布置初始点阵,提出Spring-Laplace方法优化节点位置,同时利用边交换技术优化网格结构.该方法可包含任意点源、线源和内嵌边界,可自由进行局部自适应加密或稀疏,实现任意平面域内与尺度要求一致的高效光滑三角网格剖分.     

近壁面气泡的运动规律研究

基于势流假设,建立气泡与壁面耦合数值模型,运用边界积分法求解,并开发三维计算程序,计算值与实验值符合很好.从气泡与壁面相互作用的基本现象入手,基于开发的程序系统地研究了刚性壁面附近气泡的动力学特性,其中包括水平壁面及倾斜壁面,研究壁面的Bjerknes效应与各特征参数之间的关系,并将各种工况的计算结果与基于Kelvin-impulse理论的Blake准则进行对比分析讨论,得出偏射流方向及壁面压力与气泡的特征参数有密切的关系,同时给出了Blake准则的适用范围.旨在为相关的近壁面气泡动态特性研究提供参考. 关键词： 气泡 壁面 边界积分 Bjerknes效应     

Segregation of H, C and B to Σ = 5 (0 1 3) α-Fe grain boundary: A theoretical study

The ASED-MO theory is used to study the effects of H and the HC and HB pairs in the electronic structure of a Fe grain boundary (GB). The results obtained for H in a GB model are consistent with its behavior as a chemical embrittler. The total energies calculated for FeH, FeC and FeB clusters indicate that all interstitials segregate to the GB. C has the lowest energy, followed by B, and could compete with other impurities for the site location on the GB.The results obtained for FeCH and FeBH are consistent with the observed behavior of C and B as cohesion enhancers. A strong repulsive interaction between C and H and B and H atoms is developed if they occupy the nearest interstitial site on the GB. When C or B are present, the total energies are similar to that obtained for the FeH cluster. This indicates that H is displaced from the capped trigonal prism (CTP). Also, we do not detect any CH or BH interaction.Density of states (DOS) and crystal orbital overlap population (COOP) curves are used to shed more light on the interstitial-Fe GB interaction. The existence of strong metal-metalloid bonds is shown, which are primarily due to Fe 3d, 4s and C (or B) 2s, 2p interactions.     

Prediction of binary interaction coefficients in grain boundary segregation

A simple semiempirical method is proposed for prediction of the values of the binary interaction coefficients in grain boundary segregation (Fowler interaction). The method is based on the volume solid solubility, the maximum possible concentration of the solute at the grain boundary, and an additional parameter that represents an activity exponent of both the solute and the host metal. Values of the interaction coefficients for numerous solutes in α‐iron are predicted. The comparison with available literature data shows reasonable agreement.     

A plasma-fluid model for EHD flow in DBD actuators and experimental validation

A numerical method to simulate plasma induced electrohydrodynamic flow is proposed in this study. The numerical model consists of three components. Firstly, a potential module to simulate temporal potential and electric field generated in the ionized fluid. Secondly, a plasma module to simulate plasma development and charge particle densities. Finally, a fluid module to simulate the flow affected by the body forces induced by the movement of the charged particles. Fluid flow is modeled using modified predictor-corrector strategy as proposed in the marker and cell method. The velocity field was corrected to achieve incompressible flow by calculating pressure correction factors, considered in all cells. Numerical convergence and time sensitivity analysis were carried to confirm grid independence and determine an efficient time step for simulations. Numerical computations are validated by comparing with experimental results of discharge currents and current densities. They were found to be in very good agreement thus providing an extensive validation. Furthermore, quiescent flow over a dielectric barrier discharge actuator is simulated in the this study, using the proposed plasma-fluid model, to model flow evolution and resolve temporal flow features for detailed analysis. The streamline and vorticity plots were analyzed and compared with experimental results, and flow results were found to be in-line with the experiments.