含纳米颗粒的相变功能材料在外场下的响应研究

项目名称： 含纳米颗粒的相变功能材料在外场下的响应研究

项目编号： No.11474167

项目类型： 面上项目

立项/批准年度： 2015

项目学科： 数理科学和化学

项目作者： 饶伟锋

作者单位： 南京信息工程大学

项目金额： 82万元

中文摘要： 拟研究含有纳米颗粒的相变材料在外力、电场或磁场的诱发下改变其颗粒的晶格取向，从而使材料具有低耗散大响应的新功能特性。这是一种能够同时获取优异功能特性和良好力学性能的响应机制，并且能适用于具有不同物理特性的材料系统。然而，由于这类材料中两相共存微结构的高度复杂性，相关研究在国际上才刚刚开始。作为这一机制的提出者，我们将发展能够考虑材料微结构的相场方法，将结合实验报道和其他计算方法系统地研究模型材料和几类有望实现低耗散大响应的真实材料系统。将重点研究材料的晶体学、热力学参量等材料本征属性对微结构的产生和演化的影响；研究非均匀夹杂颗粒和缺陷对材料性能的影响；探索改变温度、施加应力、电场或磁场等方法来调控材料微结构的途径。本课题的成功实施有望为开发性能卓越，但是价格低廉、环境友好的新型功能材料开辟一条新途径，促进广泛应用于国防、航空航天和医疗等重要领域的各种高性能器件的发展。

中文关键词： 结构相变；纳米结构；计算模拟；新型功能材料

英文摘要： This project is to investigate the new functionalities of traditional precipitation hardened alloys that are two-phase nano-dispersions consisting of precipitates of a low-symmetry phase embedded into a cubic matrix. These functionalities are giant low-hysteretic strain responses generated by the displacive lattice rearrangements of nano-precipitates under external stimuli such as stress, electric and/or magnetic fields. This is a new concept for obtaining a remarkable combination of giant low-hysteretic responses and good mechanical properties in physically distinct material systems. Due to the difficulty of considering the heterogeneous effects associated with the complex nanostructures, the study of such an idea and its applications is, however, still at a very beginning stage. In this project, we, as pioneers of this field, propose to systematically study the prototyping materials and promising real material systems. We will first develop an advanced version of phase-field methods to consider the microstructure formation and evolution. With the aid from experimental observations and other theoretical and computational tools, we will put emphases on the effects of thermodynamic, crystallographic and kinetic parameters on the formation and evolution of nanodispersive systems, the effects of various defects and inclusions on the macroscopic properties, and the possible means of optimizing the nanodispersive microstructure by the thermo-mechanical/electric/magnetic treatments. The success of this project will be a help on formulating a transformative approach to the discovery and development of a new class of advanced functional materials with excellent properties, and generating initiatives for developing high-performance devices to be used in high-technological applications.

英文关键词： Structural Phase Transformation;Nano Structure;Computer Simulation;Novel Functional Materials