Molecular Dynamics Simulation of Micro Mechanisms in Slip Deformation Theory of Crystals

Based on the discussion that there should be a micromechanism that causes a macroscopic slip of mono-crystal copper, molecular dynamics simulations with the analytical displacement feld around a crack tip have been carried out. The result of the simulation shows that macroscopic shear slip in an f.c.c. mono-crystal copper occurs as discrete time events. This is because cross-slips occur in many places in a material such that a macroscopic shear slip is blocked until some critical state of deformation. A macroscopic shear slip then occurs suddenly at the critical state in which the area of disordered atomic arrangement has stretched from one end of a crystal to the other end. The reason why macroscopic shear slips occur in the directions of the slip planes of a crystal is attributed to the fact that the areas of disordered atomic arrangement develop only along those directions.     

低压铸造凝固模拟中时间步长的实用算法

针对低压铸造凝固模拟计算过程中存在的收敛性问题，提出了一种能够处理复杂边界条件的简单算法，准确地给出了临界时间步长，避免了计算发散的现象，同时减少了计算的工作量。     

A computational study of austenite formation kinetics in rapidly heated steels

Surface hardening of steels involves rapid austenitization and subsequent quenching of the surface. The resulting extent of hardening largely depends on the rate of austenitization of the surface under the applied high heating rates. In the present work the kinetics of austenite formation in Fe-C alloys during rapid, non-isothermal heating conditions, characterized by high heating rates and short austenitization periods, were studied by means of computational simulation. Austenitization of lamellar pearlite/proeutectoid ferrite microstructures was simulated by assuming two kinetically distinct stages: i) dissolution of lamellar pearlite followed by ii) dissolution of proeutectoid ferrite. The two stages were simulated by two corresponding 1-D diffusion models employed in series. Numerical solution of the resultant moving-boundary diffusion problems provide calculated results regarding the dependency of vol. fraction austenite on thermal cycle parameters and on initial microstructural features of the steel. Analysis of calculated results showed that the vol. fraction of pearlite transforming to austenite during pearlite dissolution depended on maximum temperature, dwell time and pearlite interlamellar spacing. A functional relationship between these variables, consisting of a thermodynamic and a kinetic term, was established. On the other hand, the total vol. fraction of austenite forming in the steel, after both stages of austenitization, was found to follow a typical sigmoidal kinetic behaviour.     

跟踪世界铸造新技术

结合工业先进国家铸造技术发展趋势，总结了东风汽车公司近几年来，在铸造材料、铸铁熔化、造型、制芯、砂处理及清理等跟踪先进技术的几项技术成果。     

Advances in Modeling and Simulation of Grinding Processes

In the last decade the relevance of modeling and simulation of grinding processes has significantly risen which is caused by industrial needs and is indicated by the number of publications and research activities in this area. This keynote paper results from a collaborative work within the STC G and gives an overview of the current state of the art in modeling and simulation of grinding processes: Physical process models (analytical and numerical models) and empirical process models (regression analysis, artificial neural net models) as well as heuristic process models (rule based models) are taken into account, and outlined with respect to their achievements in this paper. The models are characterized by the process parameters such as grinding force, grinding temperature, etc. as well as work results including surface topography and surface integrity. Furthermore, the capabilities and the limitations of the presented model types and simulation approaches will be exemplified.     

An improved cutting force and surface topography prediction model in end milling

During the milling operation, the cutting forces will induce vibration on the cutting tool, the workpiece, and the fixtures, which will affect the surface integrity of the final part and consequently the product's quality. In this paper, a generic and improved model is introduced to simultaneously predict the conventional cutting forces along with 3D surface topography during side milling operation. The model incorporates the effects of tool runout, tool deflection, system dynamics, flank face wear, and the tool tilting on the surface roughness. An improved technique to calculate the instantaneous chip thickness is also presented. The model predictions on cutting forces and surface roughness and topography agreed well with experimental results.     

Unsteady extinction mechanism of nonpremixed flame interacting with a vortex

The extinction mechanism of a CH₄/N₂-air counterflow nonpremixed flame interacting with a single vortex was numerically studied. An augmented reduced mechanism was used to treat the CH₄ oxidation reactions. The contribution of each term in the energy and the OH species equations were evaluated to investigate the unsteady extinction mechanism of nonpremixed flame. The flame temperature began to decrease due to the convection heat loss when the flame interacted with a vortex. The investigation of the radical behavior during the flame-vortex interaction process also provided useful information on the unsteady extinction mechanism. The OH radical concentration could be used as a good tracer of the state of the unsteady extinction of nonpremixed flame. The reduction mechanism of OH concentration was confirmed by analyzing the contribution of each term in the OH species equation. At initial stage of flame-vortex interaction, the OH production and consumption rates increased gradually, while the OH concentration was kept nearly constant. Near the extinction limit, the OH production rate decreased rapidly due to the low flame temperature, and the balance between the OH production and OH consumption by diffusion could not be maintained. The unsteady nonpremixed flame interacting with a vortex under the conditions of regime (V) shown in the spectral combustion diagram [Thévenin, D., Renard, P.H., Fiechtner, G.J., Gord, J.R., Rolon, J.C., 2000. Regimes of non-premixed flame-vortex interactions. Proceedings of the Combustion Institute 28, 2101-2108.] was finally extinguished due to low reactivity, which was induced by the low flame temperature.     

Simulation of nitrogen dynamics and biomass production in winter wheat using the Danish simulation model DAISY

A dynamic simulation model for the soil plant system is described. The model includes a number of main modules, viz., a hydrological model including a submodel for soil water dynamics, a soil temperature model, a soil nitrogen model including a submodel for soil organic matter dynamics, and a crop model including a submodel for nitrogen uptake. The soil part of the model has a one-dimensional vertical structure. The soil profile is divided into layers on the basis of physical and chemical soil characteristics. The simulation model was used to simulate soil nitrogen dynamics and biomass production in winter wheat grown at two locations at various levels of nitrogen fertilization. The simulated results were compared to experimental data including concentration of inorganic nitrogen in soil, crop yield, and nitrogen accumulated in the aboveground part of the crop. Based on this validation it is concluded that the overall performance of the model is satisfactory although some minor adjustments of the model may prove to be necessary.     

多风道煤粉燃烧器拢焰罩的长度对窑内煤粉燃烧状况影响的研究

本文运用计算流体力学（CFD）技术，以大型流体工程计算软件CFX4．3为工具，模拟研究了喷煤燃烧器的扰焰罩长度对回转窑内煤粉燃烧过程规律的影响，结果表明，一定长度的扰焰罩有利于加强燃烧器出口附近的湍流混合和煤粉燃烧。     

多元复杂精馏过程模拟和优化

采用非平衡级METSH方程组，对丙烯精馏过程进行了模拟计算和优化，提出了一种全新的、实用的塔板组成的圆整归一方法，摸索出了一套行之有效的计算程式，大大提高了模型方程组迭代计算的收敛性，求解更加稳定。本文还以精馏塔利润为目标，建立了优化目标函数，进行了优化计算，计算结果对丙烯塔生产具有一定意义。