Collaborative Research: DMREF: Developing Damage Resistant Materials for Hydrogen Storage and Large-scale Transport

合作研究：DMREF：开发用于储氢和大规模运输的抗损伤材料

• 批准号: 2118522
• 负责人: Wei Cai
• 金额: $ 50万
• 依托单位: Stanford University
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2021
• 资助国家: 美国
• 起止时间: 2021-10-01 至 2025-09-30
• 项目状态: 未结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2118522&HistoricalAwards=false
• 关键词: Collaborative; Research; DMREF; Developing; Damage

With the promise of a hydrogen economy being closer to reality than it has even been, there is an important need for the design, development, and deployment of appropriate materials that can support and sustain the promise of a hydrogen-based infrastructure. One of the important scientific challenges associated with developing a hydrogen-compatible infrastructure is an understanding of the fundamentals of hydrogen-induced degradation in materials and developing appropriate hydrogen-resistant materials for storage and transport applications. By developing a computationally driven multi-scale modeling platform that will be informed by, and integrated with, experiments, this Designing Materials to Revolutionize and Engineer our Future (DMREF) project aims to accelerate the pace at which the controlling mechanisms of hydrogen embrittlement are discovered. As envisioned by the Materials Genome Initiative (MGI), this project will aim to enable the faster development of hydrogen-resistant materials for the energy transportation sector as it transitions from the transport of fossil fuels to hydrogen-based sources. Beyond the field of hydrogen storage and transport, the fundamental insights obtained from this project could also be helpful in designing fatigue- and corrosion-resistant sub-surface steel structures with longer lifetimes, which could enable materials designs for many other industries as well.This project aims to advance fundamental knowledge of crack tip processes that control damage accumulation and propagation under fatigue loading and the role of hydrogen in making the material more susceptible to fracture. It is hypothesized that the controlling mechanisms occur in the plastic zone around the crack tip, over a length scale of about 1 to 10 microns, which is too small for continuum theory to be predictive and too large for atomistic simulations to handle by brute force. Such a knowledge gap at the mesoscale will be closed through a tightly coupled experimental-computational program. Computational efforts will build upon the recent advances made in atomistic simulations, dislocation dynamics simulations, with insights on crystal plasticity and continuum-level modeling. The experimental efforts will leverage improved and unique capabilities that include nanoindentation, x-ray tomography (in conjunction with Brookhaven National Laboratory), and in situ testing in hydrogen environments (to be conducted at Sandia National Laboratory). By combining modeling and experiments over multiple length-scales, an experimentally validated multi-scale model for hydrogen effects on fatigue evolution in ferritic steels could be established. Insights obtained from this project have the potential to lead to the development of reliable engineering roadmaps for life prediction and risk assessment for hydrogen storage and transport structures.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

由于氢经济的承诺比现实更接近现实，因此对适当材料的设计，开发和部署的重要需求可以支持和维持基于氢的基础设施的承诺。与开发与氢兼容的基础设施相关的重要科学挑战之一是了解材料中氢诱导的降解的基本原理，并开发适当的耐氢材料来存储和运输应用。通过开发一个以计算驱动的多尺度建模平台，该平台将由实验并集成到这种设计材料，以彻底改变和设计我们的未来（DMREF）项目（旨在加速氢交易机制的控制机制的步伐）。正如材料基因组倡议（MGI）所设想的那样，该项目将旨在使能源运输部门的抗氢材料更快地开发，因为它从化石燃料转移到基于氢的来源。除了氢存储和运输领域之外，从该项目获得的基本见解也可能有助于设计具有较长寿命的抗疲劳和耐腐蚀和耐腐蚀的地下钢结构，这也可以为许多其他行业提供材料设计，这也可以使该项目的材料损坏和损坏的材料的基本知识，以使材料的基本知识和损坏的作用以及疲劳的作用，使疲劳的作用以及疲劳的作用，使疲劳的效果构成了疲劳的作用。断裂。假设控制机制发生在裂纹尖端周围的塑料区域中，长度约为1至10微米，这太小了，无法进行连续理论，以至于无法预测和太大，无​​法通过蛮力处理原子模拟。在中尺度上，这种知识差距将通过紧密耦合的实验计算程序封闭。计算工作将基于原子模拟，错位动力学模拟的最新进展以及对晶体可塑性和连续级建模的见解。实验努力将利用包括纳米凹痕，X射线断层扫描（与布鲁克黑文国家实验室结合）以及在氢环境中进行现场测试（将在桑迪亚国家实验室进行）的改进和独特的功能。通过在多个长度尺度上结合建模和实验，可以建立一个经过实验验证的多尺度模型，以实现氢对铁质钢中疲劳进化的影响。从该项目获得的见解有可能导致开发可靠的工程路线图，以进行氢气存储和运输结构的生活预测和风险评估。该奖项反映了NSF的法定任务，并被认为是值得通过基金会的知识分子优点和更广泛影响的评估标准通过评估来获得支持的。

项目成果

One dislocation at a time

一次一个脱位

• DOI: 10.1038/s41563-023-01555-8
• 发表时间: 2023
• 期刊: Nature Materials
• 影响因子: 41.2
• 作者: Bulatov, Vasily;Cai, Wei
• 通讯作者: Cai, Wei