DMREF/Collaborative Research: Accelerated Development of Next Generation of Ti Alloys by ICMSE Exploitation of Non-Conventional Transformation Pathways

DMREF/合作研究：通过 ICMSE 探索非常规转变途径加速下一代钛合金的开发

• 批准号: 1435611
• 负责人: Rajarshi Banerjee
• 金额: $ 49.9万
• 依托单位: University of North Texas
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2014
• 资助国家: 美国
• 起止时间: 2014-10-01 至 2018-09-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1435611&HistoricalAwards=false
• 关键词: DMREF; Collaborative; Research; Accelerated; Development

Non-technical SummaryThis DMREF research program aims to formulate an integrated computational materials science and engineering (ICMSE) approach and, consequently develop tools, to accelerate the development of new types of alloys that most likely will have been missed by the traditional trial-and-error method. This effort is an integral part of the national efforts under the Materials Genome Initiative (MGI) and the Integrated Computational Materials Engineering (ICME) initiative. The successful implementation of these new methodologies and design strategy for materials R&D will have a profound impact on industrial exploitation of new materials and optimization of existing ones. The provision of such ICMSE tools, applicable to an important class of widely applicable structural materials, will have a marked impact on a broad range of advanced technological areas including aerospace, transportation and energy. Because future materials R&D activities, requiring substantially reduced time and cost cycles, must integrate computational materials research with critical experiments, the proposed program will directly prepare graduate students to immediately contribute to the success of ICMSE in industry. Additionally, the proposed training programs for researchers involved in materials development will accelerate the implementation of the new methodology in industry, resulting in very much increased effectiveness of our materials technologists. Regarding educational outreach, the present DMREF program encourages high school students with diverse ethnic backgrounds to enter science and engineering disciplines.Technical SummaryThis research program involves the integration of sophisticated computational models, at multiple scales, highly advanced materials characterization techniques, and combinatorial and accelerated methods for materials processing and property evaluation. Such a unique coupling will undoubtedly raise significantly the state-of-the-art in the discovery and development of new structural materials. Regarding the targeted material system involved in the proposed program, i.e. titanium alloys, the focus is on the exploitation of recently discovered non-conventional transformation pathways. Thus, recent theoretical and experimental investigations suggest possibilities of achieving extremely fine and uniform alpha+beta microstructures exhibiting substantially improved properties through these non-conventional transformation pathways including pseudo-spinodal decomposition and precursory phase separation. Using an integrated computational materials science and engineering (ICMSE) approach, the development of next generation of Ti alloys based on these new and promising transformation mechanisms will be accelerated. For the first time, alloy development will be led by computational modeling, mechanistically informed and validated by critical experiments involving novel combinatorial methods for materials processing and state-of-the-art characterization techniques. The focus is on Ti alloys for structural applications in a broad range of advanced technological areas including aerospace, transportation and energy (petrochemical and nuclear). The outcomes will lead to a microstructure simulator, a property simulator, and an alloy design simulator for titanium alloys. An additional exciting aspect of this program is that the development and application of this new methodology is expected to result in new science in alloy design.

非技术摘要该 DMREF 研究计划旨在制定综合计算材料科学与工程 (ICMSE) 方法，从而开发工具，以加速新型合金的开发，而传统的试错方法很可能会错过这些合金。这项工作是材料基因组计划（MGI）和综合计算材料工程（ICME）计划下国家努力的组成部分。这些新材料研发方法和设计策略的成功实施将对新材料的工业开发和现有材料的优化产生深远的影响。提供此类 ICMSE 工具适用于一类广泛应用的重要结构材料，将对包括航空航天、交通运输和能源在内的广泛先进技术领域产生显着影响。由于未来的材料研发活动需要大幅减少时间和成本周期，必须将计算材料研究与关键实验相结合，因此拟议的计划将直接帮助研究生做好准备，立即为 ICMSE 在行业中的成功做出贡献。此外，拟议的针对材料开发研究人员的培训计划将加速新方法在工业中的实施，从而大大提高我们材料技术人员的效率。在教育推广方面，目前的 DMREF 计划鼓励不同种族背景的高中生进入科学和工程学科。 技术摘要该研究计划涉及复杂的多尺度计算模型、高度先进的材料表征技术以及材料加工和性能评估的组合和加速方法的集成。这种独特的耦合无疑将显着提高新型结构材料发现和开发的最先进水平。关于拟议计划中涉及的目标材料系统，即钛合金，重点是开发最近发现的非常规转变途径。因此，最近的理论和实验研究表明，通过这些非常规转变途径（包括伪旋节线分解和前体相分离），有可能实现极其精细和均匀的α+β微观结构，从而表现出显着改善的性能。使用集成计算材料科学与工程（ICMSE）方法，将加速基于这些新的有前途的转变机制的下一代钛合金的开发。合金开发将首次由计算模型主导，通过关键实验提供机械信息和验证，涉及材料加工的新颖组合方法和最先进的表征技术。重点是钛合金在航空航天、交通运输和能源（石化和核能）等广泛先进技术领域的结构应用。研究结果将产生钛合金的微观结构模拟器、性能模拟器和合金设计模拟器。该计划的另一个令人兴奋的方面是，这种新方法的开发和应用预计将带来合金设计的新科学。