·522· 北京科技大学学报 2001年第6期 Monte Carlo Simulation of Grain Growth.Scripta Materi- 1998,3(3:129 alia,1998,38(11):1691 7刘国权，宋晓艳，秦湘阁，张禹.产品虚拟设计中的 6刘国权，宋晓艳，陈雨来，蒋宏潮.一种新的体视学用 复相材料显微组织模型设计，中国机械T.程，2000,11 三维晶粒组织仿真模型.中国体视学与图像分析 (8:939 3D Modeling and Visualization of Polycrystalline Material Microstructure at Grain Scale with Time Scale OIN Xiangge LIU Guoquan" 1)Materials Science and Engineering School,UST Beijing.Beijing 100083,China 2)College of Material Engineering.Jiamusi University,Jiamusi 154007,China ABSTRACT Microstructure evolution of polycrystalline materials plays an important role on properties of materials.3D modeling of microstructures of polycrystalline materials is implemented using Monte Carlo Pot- ts-model simulation.The modeling includes many microstructural parameters,such as grain size and grain size distribution,grain shape,grain orientation,properties of grain and grain boundary.Three-dimensional visual- ization of so-constructed microstructures is further carried out.The results show that these models can simulate polycrystalline microstructures with various parameters,and can be used as meso-scale models of numeric simulations of processes and of meso-mechanics computation for polycrystalline materials. KEY WORDS polycrystalline microstructure;materials modeling;Monte Carlo simulation;grain scale model;3D visualization 堂堂堂5望as堂业s堂堂aYe堂里空望堂此堂s比管星a里望e里哩ea堂 Theoretical Analysis of Lattice Parameter Effect on Order-Disorder Transformation Based on Pair Potential Timothee Nsongo",Xiaodong Ni,Guoliang Chen 1)State Key Laboratory for Advanced Metals and Materials.University of Science and Technology Beijing.Beijing 100083.China 2)Applied Science School,University of Science and Technology Beijing,Beijing 100083,China ABSTRACT Based on pair potential,the Bragg Williams(B-W)model is modified to take into account the effect of the lattice parameter on the theoretical order-disorder transformation analysis.The main purpose of this work is to understand the basic aspects of this effect and related reasonable model on order-disorder trans- formation.In the present approach,the configuration free energy is chosen as function of the lattice parameter and the long-range order.This energy is calculated through Taylor's expansion,starting from the disordered state.It was found that the configuration free energy has been strongly modified when the lattice parameter is taken into account.It was also found only one type of order-disorder transformation exists in AB alloy and three kinds of order-disorder transformations for non-equiatomic alloy system such as A,B alloy.This result is in agreement with experiments. KEY WORDS order-disorder transformation;computer simulation;pair potential;phase transformation [Journal of University of Science and Technology Beijing(English Edition)2001,8(3):189]。 犯 2. 北 京 科 技 大 学 学 报 2 0 1 年第 ` 期 M o nte C ra l o S加 u l毗 no o f G r a l n G ro wi h . S e r iP ta M a te ri 一 19 9 8 , 3 ( 3 ) : 12 9 ial a , 19 8 , 38 (l :1) 169 1 7 刘国权 , 宋晓艳 , 秦湘阁 、 张 禹 . 产品虚 拟设计中的 6 刘 国权 , 宋晓艳 , 陈雨来 , 蒋宏潮 一种新 的体视学用 复相材料显微组织模 型设计 . 中国机械工程 , 2 0 00 , 1 只维 晶粒组织 仿真模 型 . 中国体 视学 与 图像分析 . 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