ITR/AP: Multiscale Models for Microstructure Simulation and Process Design

ITR/AP：用于微观结构仿真和工艺设计的多尺度模型

• 批准号: 0121695
• 负责人: Robert Haber
• 金额: --
• 依托单位: University of Illinois at Urbana-Champaign
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2001
• 资助国家: 美国
• 起止时间: 2001-10-01 至 2007-09-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0121695&HistoricalAwards=false
• 关键词: ITR; AP; Multiscale; Models; Microstructure

This grant is the result of a proposal submitted to the Information Technology Research (ITR) Initiative. The award is co-funded equally by the Divisions of Materials Research and Advanced Computation Infrastructure and Research.The research is an interdisciplinary effort to simulate the evolution of microstructure during materials processing, including the effects of microstructure on bulk material properties. The project advances a set of mutually-informative models that, collectively, span atomistic to macroscopic length scales and that couple thermal, chemical and mechanical response. It will lead to improved predictive capabilities for optimizing existing materials systems, and to the prospect of new engineered materials and processes. The rich physical basis of the models makes them computationally intensive, so a closely-coupled program of information technology research is planned to support applications research.The project brings together engineers, materials scientists, computer scientists and mathematicians. It links two existing NSF-sponsored research centeres at Illinois: the Center for Process Simulation and Design (CPSD), and the Materials Computation Center (MCC). This link is strategic, because it reflects the significant coupling between the meso- and macroscopic phenomena that CPSD studies and the largely atomistic behavior that MCC investigates. Three particular applications, listed in order of ascending scale, are (i) coupled quantum and continuum models of material interfaces; (ii) dendritic solidification with fluid flow in metallic microstructures; and (iii) microstructure evolution and process optimization in extrusion and quench processes.The target applications are, in many respects, distinct. Yet, from the perspective of computational science and information technology, they pose a number of common challenges. These include problems with moving boundaries and interfaces; coupled and heterogeneous physical models at highly disparate length scales; and, computational complexity that calls for massively parallel and adaptive analysis techniques, as well as improved iterative solution methods. The group structure of this grant allows for sharing solutions across disciplines and the possibility of investigating more alternative solutions for each application.The associated information technology includes: domain-specific abstraction frameworks that enhance programmer productivity in parallel applications development; run-time load-balancing strategies for heterogeneous parallel applications exhibiting dynamic behavior; formulation and analysis of space-time discontinuous Galerkin methods, space-time mesh generation and 4-D visualization; and, new techniques for interface tracking and variable-topology shape optimization.%%%This grant is the result of a proposal submitted to the Information Technology Research (ITR) Initiative. The award is co-funded equally by the Divisions of Materials Research and Advanced Computation Infrastructure and Research.The research is an interdisciplinary effort to simulate the evolution of microstructure during materials processing, including the effects of microstructure on bulk material properties. The project advances a set of mutually-informative models that, collectively, span atomistic to macroscopic length scales and that couple thermal, chemical and mechanical response. It will lead to improved predictive capabilities for optimizing existing materials systems, and to the prospect of new engineered materials and processes. The rich physical basis of the models makes them computationally intensive, so a closely-coupled program of information technology research is planned to support applications research.The project brings together engineers, materials scientists, computer scientists and mathematicians. It links two existing NSF-sponsored research centeres at Illinois: the Center for Process Simulation and Design (CPSD), and the Materials Computation Center (MCC). This link is strategic, because it reflects the significant coupling between the meso- and macroscopic phenomena that CPSD studies and the largely atomistic behavior that MCC investigates. Three particular applications, listed in order of ascending scale, are (i) coupled quantum and continuum models of material interfaces; (ii) dendritic solidification with fluid flow in metallic microstructures; and (iii) microstructure evolution and process optimization in extrusion and quench processes.***

这笔赠款是提交给信息技术研究 (ITR) 倡议的提案的结果。 该奖项由材料研究部和高级计算基础设施与研究部共同资助。该研究是一项跨学科的工作，旨在模拟材料加工过程中微观结构的演变，包括微观结构对散装材料性能的影响。 该项目提出了一套互信息模型，这些模型总体上跨越原子尺度到宏观长度尺度，并且耦合了热、化学和机械响应。 它将提高优化现有材料系统的预测能力，并展望新的工程材料和工艺的前景。 这些模型丰富的物理基础使其计算量很大，因此计划制定一个紧密耦合的信息技术研究计划来支持应用研究。该项目汇集了工程师、材料科学家、计算机科学家和数学家。 它连接了伊利诺伊州现有的两个由 NSF 资助的研究中心：过程模拟与设计中心 (CPSD) 和材料计算中心 (MCC)。 这种联系具有战略意义，因为它反映了 CPSD 研究的细观和宏观现象与 MCC 研究的原子行为之间的显着耦合。 按升序排列的三个特定应用是（i）材料界面的耦合量子和连续介质模型； (ii) 金属微观结构中流体流动的枝晶凝固； (iii) 挤压和淬火过程中的微观结构演变和工艺优化。目标应用在许多方面都是不同的。 然而，从计算科学和信息技术的角度来看，它们提出了许多共同的挑战。 其中包括移动边界和界面的问题；长度尺度高度不同的耦合和异构物理模型；并且，计算复杂性需要大规模并行和自适应分析技术，以及改进的迭代求解方法。 该资助的团体结构允许跨学科共享解决方案，并有可能为每个应用程序研究更多替代解决方案。相关的信息技术包括： 特定于领域的抽象框架，可提高程序员在并行应用程序开发中的生产力；表现出动态行为的异构并行应用程序的运行时负载平衡策略；时空不连续伽辽金方法的制定和分析、时空网格生成和 4 维可视化； %%%这项资助是提交给信息技术研究（ITR）计划提案的结果。 该奖项由材料研究部和高级计算基础设施与研究部共同资助。该研究是一项跨学科的工作，旨在模拟材料加工过程中微观结构的演变，包括微观结构对散装材料性能的影响。 该项目提出了一套互信息模型，这些模型总体上跨越原子尺度到宏观长度尺度，并且耦合了热、化学和机械响应。 它将提高优化现有材料系统的预测能力，并展望新的工程材料和工艺的前景。 这些模型丰富的物理基础使其计算量很大，因此计划制定一个紧密耦合的信息技术研究计划来支持应用研究。该项目汇集了工程师、材料科学家、计算机科学家和数学家。 它连接了伊利诺伊州现有的两个由 NSF 资助的研究中心：过程模拟与设计中心 (CPSD) 和材料计算中心 (MCC)。 这种联系具有战略意义，因为它反映了 CPSD 研究的细观和宏观现象与 MCC 研究的原子行为之间的显着耦合。 按升序排列的三个特定应用是（i）材料界面的耦合量子和连续介质模型； (ii) 金属微观结构中流体流动的枝晶凝固； (iii) 挤压和淬火工艺中的微观结构演变和工艺优化。***