块体非晶合金原子结构的本征特性及形变的微观机制

项目名称： 块体非晶合金原子结构的本征特性及形变的微观机制

项目编号： No.51271212

项目类型： 面上项目

立项/批准年度： 2013

项目学科： 一般工业技术

项目作者： 刘雄军

作者单位： 北京科技大学

项目金额： 80万元

中文摘要： 目前，我们已基本完成了青年科学基金项目计划的各项研究任务，实现了预期目标，并在非晶合金的原子结构和纳米晶化机制等方面取得了创新性的研究进展。相关研究结果已经在《Phys. Rev. Lett.》、《Aata Mater.》等国际期刊上发表SCI论文8篇，申请国家发明专利3项，参加国际会议4次，获教育部自然科学二等奖1项。在此基础上，本项目提出以揭示块体非晶合金原子结构的本征特性为出发点，以建立原子结构-形变关系为最终目标，拟采用计算模拟与先进实验技术相结合的方法，对块体非晶合金的原子结构及其对材料形变的响应规律进行系统研究。通过对原子结构本征特性的数值解析，提出一个科学的、可量化的结构表征方法；应用该表征方法对外加应力-应变场作用下原子结构的动态演化过程进行系统分析，揭示块体非晶合金形变的微观机制。项目的成功开展将促进对非晶原子结构本质的认识，为建立非晶合金的结构-性能关系奠定理论基础。

中文关键词： 非晶合金；原子结构；结构不均匀性；形变不均匀性；变形机理

英文摘要： So far, we have done almost all the proposed researches and implemented expected goals according to the natural science foundation for young scholars program. In particular, we have made innovative progresses in atomic structures and nanocrystallization mechanism of metallic glasses. These research outcomes lead to eight high-profile academic papers published in high-impact journals, such as Physical Review Letters and Aata Materialia, four presentations in international conferences, three patents of invention, and one Natural Science Awards from Ministry of Education in China. Based on these outcomes, this proposed research is aiming at revealing the intrinsic features of atomic structure, then correlating them with mechanical behaviors, and finally constructing the relationship between the atomic structure and deformation behaviors, in bulk metallic glasses. We tend to systematically study atomic structures and their responses to deformation in bulk metallic glasses, through a unique combination of theoretical calculations and the state-of-the-art experimental techniques. The intrinsic atomic packing feature will be unveiled through an in-depth analysis of the global packing character. We will develop a scientific and quantitative approach to characterizing the intrinsic structure by resolving the intrinsic at

英文关键词： Metallic Glass；Atomic Structure；Structural Heterogeneity；Deformation Heterogeneity；Deformation Mechanism