Multi-scale Modeling of Deformation in Nanostructured Metallic Systems

纳米结构金属系统变形的多尺度建模

• 批准号: 1727875
• 负责人: Lin Li
• 金额: $ 34.53万
• 依托单位: University of Alabama Tuscaloosa
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2017
• 资助国家: 美国
• 起止时间: 2017-08-01 至 2022-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1727875&HistoricalAwards=false
• 关键词: Multi; scale; Modeling; Deformation; Nanostructured

Nanocrystalline metals represent a class of high-strength engineering materials with benefits for the electronics, aerospace, and automotive industries. However, their applications have been limited by their thermal instability and a lack of ductility. A strategy to address these limitations through thermo-mechanical treatment has been developed. This award supports fundamental research to understand the mechanisms that lead to improved ductility in nanocrystalline metals through this processing. The research will enable the development of sustainable bulk nanostructured metals with high strength and ductility to withstand application in extreme environments such as high temperatures and stresses. The work will also provide training to undergraduate and graduate students to meet the future needs of computationally-driven materials development.The goal of the research supported by this award is to develop fundamental understanding of the cooperating and competing deformation mechanisms in grain boundary complexion-engineered nanocrystalline metals. It will elucidate their hierarchical contributions to mechanical performance and establish their connection with the disordered state of grain boundary complexion. This project will develop multi-scale modeling approaches, drawing from atomistic, mesoscale dynamics, and continuum mechanics simulations, utilizing kinetic Monte Carlo algorithm and finite element methods to bridge time and length scales. The direct connection of the model with in-situ neutron diffraction measurements will rigorously determine the dynamical interplay of deformation and grain boundary structural evolution. The findings of this project are expected to advance current knowledge of the underlying mechanisms controlling behavior in these materials, and to inform their coupling in the complex non-equilibrium metallic structures. The research results will provide guidance to complexion engineering for the design of mechanically-enhanced nanostructured metallic systems.

纳米晶金属代表了一类高强度工程材料，对电子，航空航天和汽车工业有好处。然而，它们的应用受到它们的热不稳定性和缺乏延展性的限制。 已经开发了通过热机械处理来解决这些限制的策略。该奖项支持基础研究，以了解通过这种处理提高纳米晶金属延展性的机制。该研究将使可持续的大块纳米结构金属的开发具有高强度和延展性，以承受极端环境中的应用，如高温和应力。这项工作还将为本科生和研究生提供培训，以满足计算驱动材料开发的未来需求。该奖项支持的研究目标是发展对晶界配位工程纳米晶金属中合作和竞争变形机制的基本理解。它将阐明它们对机械性能的分级贡献，并建立它们与晶界复合物无序状态的联系。该项目将开发多尺度建模方法，从原子，中尺度动力学和连续介质力学模拟，利用动力学蒙特卡罗算法和有限元方法来桥接时间和长度尺度。直接连接的模型与原位中子衍射测量将严格确定动态相互作用的变形和晶界结构演化。该项目的研究结果有望推进当前对这些材料中控制行为的潜在机制的认识，并为它们在复杂的非平衡金属结构中的耦合提供信息。研究结果将为机械增强纳米金属结构体系的设计提供指导。

项目成果

Effects of nanoscale chemical heterogeneity on the wear, corrosion, and tribocorrosion resistance of Zr-based thin film metallic glasses

• DOI: 10.1016/j.surfcoat.2020.126324
• 发表时间: 2020-11-25
• 期刊: SURFACE & COATINGS TECHNOLOGY
• 影响因子: 5.4
• 作者: Wang, Wenbo;Mraied, Hesham;Cai, Wenjun
• 通讯作者: Cai, Wenjun

Balancing data for generalizable machine learning to predict glass-forming ability of ternary alloys

• DOI: 10.1016/j.scriptamat.2021.114366
• 发表时间: 2022
• 期刊: Scripta Materialia
• 影响因子: 6
• 作者: Yi Yao;Timothy Sullivan;Feng Yan;Jiaqi Gong;Lin Li

Machine Learning-Guided Exploration of Glass-Forming Ability in Multicomponent Alloys

• DOI: 10.1007/s11837-022-05549-w
• 发表时间: 2022-10
• 期刊: JOM
• 影响因子: 2.6
• 作者: Yi Yao;Timothy Sullivan;Feng Yan;Jiaqi Gong;Lin Li

Enhancing strength and plasticity by pre-introduced indent-notches in Zr36Cu64 metallic glass: A molecular dynamics simulation study

通过在 Zr(36)Cu(64) 金属玻璃中预先引入凹口来提高强度和塑性：分子动力学模拟研究

• DOI: 10.1016/j.jmst.2019.10.034
• 发表时间: 2020-04-15
• 期刊: JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
• 影响因子: 10.9
• 作者: Feng, Shidong;Li, Lin;Liu, Riping
• 通讯作者: Liu, Riping

The Strain Rate Sensitivity of Heterogeneous Thin Film Metallic Glasses: Interplay Between Nanoscale Heterogeneity and Dynamic Plasticity

• DOI: 10.3389/fmats.2022.925096
• 发表时间: 2022-06-15
• 期刊: FRONTIERS IN MATERIALS
• 影响因子: 3.2
• 作者: Gu，Yucong;Han，Xiao;Li，Lin
• 通讯作者: Li，Lin