界面预制:一种高效生成原子模型的方法

Pre-Constructed Interface: an Easy Approach for Generating Nano-Scale-Device Atomistic Models

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.

In the simulation of nano-scale electronic devices, molecular models contain lots of atoms. It is difficult 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 information, the proposed method can select suitable pre-constructed interfaces to generate required models. According to the results from the user study, the new method is more efficient than current modeling methods.