分子动力学中晶体位错的三维可视化系统设计与实现  

The Design and Implementation of 3D Visualization System for Crystal Dislocations in Molecular Dynamics

作　　者：宁媛[1] 张鹏[2] 介军[1] NING Yuan, ZHANG Peng, JIE Jun （1.School of Information and Control Engineering, Xi＇an University of Architecture and Technology, Xi＇an 710055, China; 2. College of Arts, Xi＇an University of Architecture and Technology, Xi＇an 710055, China）

机构地区：[1]西安建筑科技大学信息与控制工程学院,陕西西安710055 [2]西安建筑科技大学艺术学院,陕西西安710055

出　　处：《电脑知识与技术》2014年第6期3896-3899,共4页Computer Knowledge and Technology

摘　　要：在材料科学中，位错线是晶体或晶格内滑移面上已滑动区的边界，位错线的识别对于鉴定晶体的性能有着重要的影响。该文将三维可视化技术应用到分子动力学领域，改进了原有的只能通过计算结果分析数据、通过二维图像简单观察数据的方法，设计了晶体位错可视化系统，使得晶体中各原子之间形成的三维结构易于观察，便于研究晶体位错等重要的材质特性，提高位错线的识别效率。In the material science, the dislocation lines are the boundary sliding of a crystal or a lattice slip plane,the identification of dislocation lines have a important impact for the property of crystals. The essay using the application of 3D visualization tech-nology to the field of molecular dynamics and improving the conventional research ways, such as analyzing data by calculating re-sults and observing the data by 2D images inconveniently, designing a visualization system for crystal dislocations. This way can make the 3D structure among atoms be observed easily, which is convenient to research the crystal dislocations and other impor-tant material properties, and improve the efficiency of the identification of dislocation lines.

关 键 词：位错线识别 三维可视化 骨架提取算法 

分 类 号：TP311[自动化与计算机技术—计算机软件与理论;自动化与计算机技术—计算机科学与技术]