Defect Interactions in Solids: Impact on Microstructure and Materials Properties

固体中的缺陷相互作用：对微观结构和材料性能的影响

• 批准号: 9975384
• 负责人: Jeffrey Rickman
• 金额: $ 17.7万
• 依托单位: Lehigh University
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1999
• 资助国家: 美国
• 起止时间: 1999-07-01 至 2004-06-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9975384&HistoricalAwards=false
• 关键词: Defect; Interactions; Solids; Impact; Microstructure

9975384RickmanThis award is a renewal of a prior NSF Young Investigator award. The current grant is for theoretical modeling to assess the impact of mutual interactions among point and line defects on defect microstructures and associated materials properties. Crystalline defects, when present in large quantities, can dramatically alter the thermal and mechanical properties of materials; a quantitative understanding of the factors governing defect structure, mobility, and chemical environment is essential to explain observed phenomena and to engineer new materials with desired characteristics. The focus of the proposed work will be on mesoscale and continuum descriptions of the thermodynamics and kinetics of ensembles of mutually interacting vacancies, interstitials, and dislocations. Equilibrium and metastable properties of these ensembles can be treated using statistical mechanics methods and linked with corresponding macroscopic defect densities using a coarse-graining procedure. Several complementary computational and analytical techniques will be used in this project, including kinetic Monte Carlo simulations and mean-field theory simulations.This award is a renewal of a prior NSF Young Investigator award. The current grant is for theoretical modeling to assess the impact of mutual interactions among point and line defects on defect microstructures and associated materials properties. Crystalline defects, when present in large quantities, can dramatically alter the thermal and mechanical properties of materials; a quantitative understanding of the factors governing defect structure, mobility, and chemical environment is essential to explain observed phenomena and to engineer new materials with desired characteristics. The focus of the proposed work will be on mesoscale and continuum descriptions of the thermodynamics and kinetics of ensembles of mutually interacting vacancies, interstitials, and dislocations. Simulation results for metallurgical processes can be incorporated into a sophomore-level course on computational methods in materials science.

9975384 Rickman该奖项是之前NSF青年研究者奖的延续。 目前的资助是用于理论建模，以评估点和线缺陷之间的相互作用对缺陷微观结构和相关材料性能的影响。 晶体缺陷，当大量存在时，可以显着改变材料的热和机械性能;定量了解缺陷结构，流动性和化学环境的因素对于解释观察到的现象和设计具有所需特性的新材料至关重要。 拟议的工作的重点将是中尺度和连续描述的热力学和动力学合奏相互作用的空缺，晶体，和位错。 这些合奏的平衡和亚稳性质可以使用统计力学方法处理，并与相应的宏观缺陷密度使用粗粒化程序。 几个互补的计算和分析技术将用于这个项目，包括动力学蒙特卡罗模拟和平均场理论模拟。这个奖项是以前的NSF青年研究者奖的延续。 目前的资助是用于理论建模，以评估点和线缺陷之间的相互作用对缺陷微观结构和相关材料性能的影响。 晶体缺陷，当大量存在时，可以显着改变材料的热和机械性能;定量了解缺陷结构，流动性和化学环境的因素对于解释观察到的现象和设计具有所需特性的新材料至关重要。 拟议的工作的重点将是中尺度和连续描述的热力学和动力学合奏相互作用的空缺，晶体，和位错。 冶金过程的模拟结果可以纳入材料科学计算方法的二年级课程中。