CDS&E/Collaborative Research: Fundamental Investigation of Zinc-Coating of Advanced High Strength Steels Directed by Multiscale Modeling and Experiments

CDS

• 批准号: 1911280
• 负责人: Mohsen Asle Zaeem
• 金额: $ 4.13万
• 依托单位: Colorado School of Mines
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2018
• 资助国家: 美国
• 起止时间: 2018-09-01 至 2020-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1911280&HistoricalAwards=false
• 关键词: CDS& Collaborative; Research; Fundamental; Investigation

New-generation advanced high strength steels need to be coated with a thin layer of zinc that provides corrosion protection to the substrate. Thus, zinc coating is a critical component that enables steels to maintain structural integrity for prolonged service times. Prediction and control of the coating process requires better understanding of interfacial reactions between zinc and steel substrate, which are very complex. This Computational and Data-Enabled Science and Engineering (CDS&E) collaborative research award supports fundamental research that combines cutting-edge experimental techniques and multi-scale computer simulations to study the interfacial microstructures that develop during coating. The outcomes of this research will provide guidelines for improved coating of advanced high strength steel sheets which enable production of lighter and safer vehicles, and ultimately contribute to reducing emissions of green-house gases. This project also provides an opportunity to educate engineering students with cross-discipline computational and experimental skills.The zinc-steel interfacial structures determine the success or failure of forming, welding, and corrosion protection capabilities of advanced high strength steels. There is a lack of fundamental knowledge regarding the process-microstructure-property relationships in zinc-coated steels produced by galvanizing and galvannealing, due to the fact that complex metallurgical reactions occur in a region less than 100 nanometers. The research team will utilize focused ion beam to prepare specimens for transmission electron microscopy analyses to resolve complicated, fine-scale interfacial microstructures and to reveal the chemistry of the interfacial entities. The data will be used to calibrate and validate cross-length scale models, spanning from the electronic to mesoscale. Density functional theory calculations will be performed to determine structures and properties of oxides and intermetallics. The obtained data will be used to develop multicomponent interatomic potentials based on the modified embedded-atom method. These potentials will be employed in large-scale atomistic simulations to determine energetics data for the formation of oxides and intermetallics. The experimental and atomistic modeling data will be fed to unprecedented multicomponent, multi-phase field models to simulate formation and evolution of microstructures of internal/external oxidation, inhibition layer, and intermetallics. The iterations between experiments and models will provide a unique approach to facilitate the discovery of new coating processes for advanced high strength steels.

新一代先进的高强度钢需要涂覆一层薄锌层，为基材提供腐蚀保护。因此，镀锌层是一个关键的组成部分，使钢保持结构完整性，延长服务时间。预测和控制镀层过程需要更好地了解锌和钢基体之间的界面反应，这是非常复杂的。这个计算和数据支持的科学与工程（CDS E）合作研究奖支持基础研究，结合尖端的实验技术和多尺度计算机模拟，研究涂层过程中发展的界面微观结构。这项研究的结果将为先进高强度钢板的涂层改进提供指导，从而能够生产更轻，更安全的车辆，并最终有助于减少温室气体的排放。该项目还为工程专业学生提供了一个跨学科计算和实验技能的教育机会。锌-钢界面结构决定了先进高强度钢的成型、焊接和腐蚀防护能力的成败。由于复杂的冶金反应发生在小于100纳米的区域内，因此缺乏关于通过镀锌和镀锌退火生产的镀锌钢的工艺-微观结构-性能关系的基本知识。研究小组将利用聚焦离子束制备透射电子显微镜分析的样品，以解析复杂的精细界面微观结构，并揭示界面实体的化学性质。这些数据将用于校准和验证跨尺度模型，从电子到中尺度。将进行密度泛函理论计算以确定氧化物和金属间化合物的结构和性质。所获得的数据将被用来开发基于改进的嵌入原子方法的多组分原子间相互作用势。这些潜力将在大规模的原子模拟，以确定形成氧化物和金属间化合物的能量数据。实验和原子建模数据将被馈送到前所未有的多组分，多相场模型，以模拟内部/外部氧化，抑制层和金属间化合物的微观结构的形成和演变。实验和模型之间的迭代将提供一种独特的方法，以促进先进的高强度钢的新涂层工艺的发现。

项目成果

Oxidation Induced Stresses in High-Temperature Oxidation of Steel: A Multiphase Field Study

• DOI: 10.3390/met10060801
• 发表时间: 2020-06
• 期刊: Metals
• 影响因子: 2.9
• 作者: Alireza Toghraee;M. A. Zaeem

Thermodynamic and kinetic behavior of low-alloy steels: An atomic level study using an Fe-Mn-Si-C modified embedded atom method (MEAM) potential

• DOI: 10.1016/j.mtla.2019.100473
• 发表时间: 2019-12-01
• 期刊: MATERIALIA
• 影响因子: 3.4
• 作者: Aslam, I.;Baskes, M. I.;Horstemeyer, M. F.
• 通讯作者: Horstemeyer, M. F.