CAREER: Order-induced heterogeneities in the deformation behavior of FCC concentrated solid solutions

职业：FCC 浓固溶体变形行为中的有序诱导异质性

• 批准号: 2144451
• 负责人: Matthew Daly
• 金额: $ 57.76万
• 依托单位: University of Illinois at Chicago
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2022
• 资助国家: 美国
• 起止时间: 2022-08-15 至 2027-07-31
• 项目状态: 未结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2144451&HistoricalAwards=false
• 关键词: CAREER; Order; induced; heterogeneities; deformation

This award is funded in whole or in part under the American Rescue Plan Act of 2021 (Public Law 117-2).Non-technical SummaryThe realization of new, stronger materials is a critical element to the success of emerging technologies in a diverse set of application areas including civil infrastructure, automotive, and aerospace. For example, the ranges of electric vehicles can be improved with stronger alloys (i.e., mixtures of metals and additives), by enabling lower weight vehicle components without a compromise to passenger safety. One key pathway to improving strength is through an understanding of how alloys deform (i.e., respond to loading). Traditional understanding emphasizes the importance of additive chemistry and concentration in directing deformation. However, this rationale has shortcomings in explaining the behavior of alloys with unusually large concentrations of additives. These concentrated alloys include many technologically important materials such as high strength steels. To address these shortcomings, this research effort explores the following question: How does the atomic-scale organization of additives in concentrated alloys influence how the alloy bends? This question is motivated by the hypothesis that, in addition to chemistry and concentration, the additive organization play an important and under-recognized role in directing bending. To reveal this link, forefront mechanical testing techniques and computational models are developed and used. In addition to advancing tools for materials testing, this effort provides new fundamental insights for how these special class of alloys bend, that provides a foundational understanding to engineer materials with improved strength. More broadly, the outcomes of this effort deliver key datasets and methodologies, which enable new investigations within the research community, and contribute to the competitive advantage of America’s advanced manufacturing industries. These findings are the basis of virtual reality-based learning materials for undergraduate education, and middle- and high-school outreach. The objective of these instructional activities is to broaden participation in science, technology, engineering and mathematics (STEM) by leveraging virtual reality (VR) as a tool to convey materials scientific concepts to a broad range of students. Another intended outcome of these activities is the recruitment of students, including those from underrepresented groups, to participate in the research tasks of this effort, and thereby enhance the STEM pipeline.  Technical SummaryThe research focuses on the following question: How does the length scale of solute organization drive the deformation behavior of concentrated solid solutions? Within the context of concentrated systems, the motivation for this effort is the observed fluctuations in solute potential energies that emerge at the length scale of dislocations. These fluctuations underpin the central hypothesis of this investigation – that is, chemical short-range order gives rise to predictable, statistical heterogeneities in the potential energy landscape of concentrated solid solutions that influence the competition between various deformation mechanisms. To answer the question above, complementary experimental, including a nanobending testing technique, and computational research tools, such as scale-bridging kinetic Monte Carlo simulation, are being developed and utilized. The face-centered cubic CrCoNi system is selected as a benchmark for this investigation, yet the approach can be generalized to other concentrated systems of scientific and technological interest. Specific outcomes from this effort include 1) deformation mechanism maps that chart the trends in mechanism competition using chemical ordering as a structural parameter; 2) statistical relationships that link chemical short-range order with the length scale-resolved fluctuations in the potential energy barriers of deformation processes; and 3) a new experimental-computational approach to measure mesoscale deformation that bridges the temporal and spatial gap between simulations and theory. More broadly, the outcomes of this effort provide the research community with new tools to explore multiscale relationships in complex alloys, and key experimental datasets to validate interatomic potentials. The education and outreach activities feature virtual reality (VR) modules in order to illustrate concepts such as atomic packing, solid solution formation and slip.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.

该奖项是根据2021年《美国救援计划法》的全部或部分资助（公共法第117-2）。《非技术总结》，新的，更强的材料的实现是新兴技术在包括民用基础设施，自动企业，自动企业和航空领域的潜水应用领域中成功的关键因素。例如，通过更强的合金（即金属和添加剂的混合物），可以改善电动汽车的范围，通过使较低的重量车辆组件无需妥协以促进乘客安全。提高强度的一种关键途径是了解合金如何变形（即负载负载）。传统的理解强调了添加剂化学和集中度在指导变形中的重要性。但是，这种理由在解释具有异常浓度添加剂的合金的行为方面存在缺点。这些浓缩合金包括许多技术上重要的材料，例如高强度钢。为了解决这些缺点，这项研究工作探讨了以下问题：浓缩合金中添加的原子级组织如何影响合金弯曲的方式？这个问题是由以下假设激发的：除了化学和集中度之外，增加的组织在指导弯曲方面起着重要且不认可的作用。为了揭示此链接，最前沿的机械测试技术和计算模型是开发和使用的。除了推进材料测试的工具外，这项工作还为这些特殊类合金弯曲的新基本见解提供了新的基本见解，从而为工程材料提供了提高强度的基本理解。从更广泛的角度来看，这种努力交付关键数据集和方法的结果，可以在研究界内进行新的投资，并为美国高级制造业的竞争优势做出了贡献。这些发现是基于虚拟现实的学习材料以及中学和高中宣传的基础。这些教学活动的目的是通过利用虚拟现实（VR）作为将材料科学概念传达给广泛的学生的工具来广泛参与科学，技术，工程和数学（STEM）。这些活动的另一个预期结果是招募学生，包括来自代表性不足的群体的学生参加这项工作的研究任务，从而增强了STEM管道。技术总结研究重点是以下问题：固体组织的长度规模如何推动集中固体解决方案的变形行为？在集中系统的背景下，这种努力的动机是在固体势能中观察到的波动，这些势能在脱位的长度范围内出现。这些波动是这项投资的核心假设的基础，即化学短期顺序在浓缩固定解决方案的势能环境中产生了可预测的统计异质性，这些固体解决方案影响了各种变形机制之间的竞争。为了回答上面的问题，正在开发和利用完整的实验，包括纳米运行的测试技术和计算研究工具，例如缩放动力学的蒙特卡洛模拟。以面部为中心的立方CRCONI系统被选为这项投资的基准，但是该方法可以推广到其他科学和技术兴趣的集中系统。这项工作中的具体结果包括1）使用化学有序作为结构参数的机理竞争趋势的变形机制图； 2）将化学短距离顺序与变形过程的势能屏障的长度尺度分辨波动联系起来的统计关系； 3）一种测量中尺度变形的新的实验计算方法，该方法弥合了模拟与理论之间的暂时和空间差距。从更广泛的角度来看，这项工作的结果为研究社区提供了新的工具，可以探索复杂合金中的多种关系，以及验证原子间潜力的关键实验数据集。教育和外展活动具有虚拟现实（VR）模块，以说明诸如原子包装，实心解决方案形成和滑倒等概念。该奖项反映了NSF的法定任务，并被认为是通过基金会的智力优点和更广泛的影响来通过评估来获得的支持。

项目成果

The Competition Between Deformation Twinning and Dislocation Slip in Deformed Face-Centered Cubic Metals

• DOI: 10.1007/s11837-022-05437-3
• 发表时间: 2022-08-15
• 期刊: JOM
• 影响因子: 2.6
• 作者: Jagatramka, Ritesh;Daly, Matthew
• 通讯作者: Daly, Matthew

An analytical method to quantify the statistics of energy landscapes in random solid solutions

• DOI: 10.1016/j.commatsci.2022.111763
• 发表时间: 2022-02
• 期刊: Computational Materials Science
• 影响因子: 3.3
• 作者: Ritesh Jagatramka;C. Wang;M. Daly

The evolution of deformation twinning microstructures in random face-centered cubic solid solutions

• DOI: 10.1063/5.0135538
• 发表时间: 2023-02
• 期刊: Journal of Applied Physics
• 影响因子: 3.2
• 作者: Ritesh Jagatramka;Junaid Ahmed;M. Daly