界面预制一种高效生成原子模型的方法-计算机辅助设计与图形学学报.PDF

第28 卷 第 10 期 计算机辅助设计与图形学学报 Vol. 28 No.10 2016 年 10 月 Journal of Computer-Aided Design Computer Graphics Oct. 2016 界面预制: 一种高效生成原子模型的方法 1,2) 3) 3) 2) 曹 力 , 顾兆光 , 孙 健 , 王文平 1) (合肥工业大学计算机与信息学院 合肥 230009) 2) (香港大学计算机系 香港) 3) (香港大学化学系 香港) (lcao@cs.hku.hk) : 针对用于微电子元器件性能仿真的纳米尺度模型含有大量原子, 直接对其进行编辑较为复杂的问题, 在总 结原子模型几何特征的基础上, 提出一种新的建模方法. 该方法预先将各种材料和不同材料间的界面设计成预制结 构; 在建模时, 用户只需创建若干基本的图元, 再选择各图元相应材料并将它们组合成一个复合图元; 依据复合图 元的材料信息选择合适的界面预制结构, 最终生成设计器件的原子模型. 用户调查结果表明, 与现有建模方法比较, 文中建模方法更为简便和高效. ：计算机辅助建模; 纳米元器件模型; 原子模型编辑 : TP391.41 Pre-Constructed Interface: an Easy Approach for Generating Nano-Scale-Device Atomistic Models Cao Li1,2), Koo Siu Kong3), Sun Jian3), and Wang Wenping2) 1) (School of Computer and Information, Hefei University of Technology, Hefei 230009) 2) (Department of Computer Science, The University of Hong Kong, Hong Kong) 3) (Department of Chemistry, The University of Hong Kong, Hong Kong) Abstract: In the simulation of nano-scale electronic devices, molecular models contain lots of atoms. It is diffi- cult to edit a model with so many atoms. When a model consists of two or more different materials, editing the interfaces is even harder. Based on the geometry features of general device models being used for simulation, a new model construction method is proposed. It is based on the pre-constructed structures of different materials and the corresponding interfaces. In the design process, users only need to generate simple graphic objects, assign material properties and combine them to form a single object. Based on these graphic objects, together with the corresponding material info