【摘要】 电子陶瓷材料正由经验研究和实物展示向虚拟设计和测试转变,从材料到器件性能的计算机数字模拟和建模也应运而生。本文介绍了电子陶瓷材料领域技术数字模拟与建模的理论背景,着重讨论了有限元方法(FEM)在压电及其相关陶瓷及换能器建模中的应用,以及分子动力学模拟在电子陶瓷材料电子结构、点缺陷和晶界特性等电子陶瓷材料中的研究进展和发展趋势。更多还原

【Abstract】 Electroceramic materials currently are in a transition from empirical study and physical demonstrator into virtual design and testing. To fit into this evolution, a rise in modeling and numerical simulation of material- and device- related properties presently occurs. The review introduces briefly the theoretical background, stresses on the finite- element method (FEM) applied to the modeling of piezoelectric and related ceramics and transducer applications, and the progress and trends of computer modeling and numerical simulation procedures on the electronic structure, point defects and the pro- perties of grain boundaries of electroceramic materials by means of the models on the molecular scale.更多还原