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.

纳米晶金属代表一类高强度工程材料，对电子，航空航天和汽车行业有好处。但是，它们的应用受到其热不稳定性和缺乏延展性的限制。 已经开发了一种通过热机械处理来解决这些局限性的策略。该奖项支持基本研究，以了解通过此处理来改善纳米晶金属延展性的机制。这项研究将使具有高强度和延展性的可持续体积纳米结构金属的发展能够在高温和压力等极端环境中承受应用。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。该奖项支持的研究的目的是对谷物边界肤色制造的纳米晶体金属的合作和竞争变形机制进行基本了解。它将阐明他们对机械性能的层次贡献，并与晶界肤色无序状态建立联系。该项目将开发多尺度建模方法，从原子尺度，中尺度动力学和连续力学模拟，利用动力学蒙特卡洛算法和有限元方法来桥接时间和长度尺度。模型与原位中子衍射测量的直接连接将严格确定变形和晶界结构演化的动态相互作用。预计该项目的发现将提高有关控制这些材料行为的基本机制的当前知识，并在复杂的非平衡金属结构中告知其耦合。研究结果将为肤色工程提供指导，以设计机械增强的金属系统。

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

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

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