铁电薄膜辐射效应的多尺度模拟研究

项目名称： 铁电薄膜辐射效应的多尺度模拟研究

项目编号： No.11275163

项目类型： 面上项目

立项/批准年度： 2013

项目学科： 数理科学和化学

项目作者： 谢国锋

作者单位： 湘潭大学

项目金额： 80万元

中文摘要： 铁电薄膜材料是一类重要的信息功能材料，由于它具有抗辐射能力强的优点，在航天航空、太空探测、核爆炸等国防尖端领域有重要的应用前景。铁电薄膜材料及器件在各种高能粒子辐射作用下的结构损伤和性能变化以及失效机理成为人们关注的科学问题。计算机模拟技术相对实验方法有成本低廉、易于实施、变化范围广等优点，通过计算机模拟结合少量的辐照实验是研究铁电薄膜材料辐射效应的有效途径。本项目有机地结合分子动力学、蒙特卡罗和有限元方法，从微观-介观-宏观多尺度地模拟铁电薄膜材料在中子、质子、电子和伽马射线作用下的结构损伤和性能变化，分析铁电薄膜材料辐射效应的宏微观机理，探索其失效机制，为发展铁电薄膜及器件的抗辐射加固技术，为研制高性能铁电器件并评估其安全性和可靠性提供理论依据。

中文关键词： 铁电薄膜；辐射效应；多尺度模拟；失效机制；

英文摘要： Ferroelectric thin film is an important kind of functional material for informatics. The excellent resistance to radiation makes ferroelectric devices especially suitable for national defence application such as space navigation, outer space exploration and nuclear exploding. Scientists focus on the structure damage, property degradation and failure mechanism of ferroelectric thin film materials and devices under the radiation of energic particles. Computer simulation combined with few irradiation experiments is the economic and effective method, because computer simulation has the low-cost, easily implementing and widely adjustable advantage. This project applies micro-meso-macro multiscale simulation which integrates molecular dynamics, Monte Carlo simulation and finite element method to simulate the structure damage, property degradation of ferroelectric thin film materials under the radiation of energic neutron, proton, electron beam and gamma ray, analyse the micro and macro mechanism of radiation effects, and investigate the failure mechanism. It will be helpful to develop radiation hardened technology of high property ferroelectric devices, and will offer the theoretic foundation of evaluating safety and reliability of ferroelectric devices under radiation.

英文关键词： Ferroelectric thin film；Radiation effect；Multi-scale simulation；Failure mechanism；