Thermodynamic and Kinetic Theory of Structural Transformations in Metal and Ceramics Systems

金属和陶瓷系统结构转变的热力学和动力学理论

• 批准号: 9503595
• 负责人: Armen Khachaturyan
• 金额: $ 34.5万
• 依托单位: Rutgers University New Brunswick
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1995
• 资助国家: 美国
• 起止时间: 1995-07-01 至 1999-04-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9503595&HistoricalAwards=false
• 关键词: Thermodynamic; Kinetic; Theory; Structural; Transformations

9503595 Khachaturyan The objective of this project is to develop a set of numerical methods which can be efficiently used in the microstructure (and thus physical property) control of multiphase advanced materials, with the potential use in intelligent design and processing of materials with phase transformations. The theory and the corresponding simulation models incorporating the transformation-induced strain are expected to be advanced to a point where three- dimensional numerical modeling is able to (i) realistically characterize and predict the microstructure evolution during the processing, (ii) test different models, and (iii) obtain insight into the details of atomic mechanisms of structure formation. Emphasis will be placed on Ni-based superalloys, zirconium oxide, and displacive transformations. %%% This project supports the continuing work of one of the leading materials theorists in America. The Principal Investigator has adapted his analytic theory into computational codes which model the development of microstructure during phase transformations. Materials properties are closely related to the structure on the micrometer scale, so it is desirous to understand how to produce such microstructures so that materials can be designed with properties of interest. In this project the Principal Investigator will extend his work from two- dimensional modeling to three dimensions. He will apply his simulations to a variety of materials of importance which can, in some circumstances, be compared with experimental microstructures. ***

9503595 khachaturyan该项目的目的是开发一组数值方法，这些方法可以在微观结构（以及物理属性）控制多相高级材料的控制中有效地使用，并在智能设计和与相变的材料进行智能设计中的潜在使用。 预期结合了转换诱导应变的理论和相应的仿真模型将提高到三维数值建模能够（i）能够（i）实际表征和预测处理过程中的微观结构演化，（ii）测试不同的模型，并且（iii）（iii）对结构形成原子机制的细节获得洞察力。 重点将放在基于NI的超合金，氧化锆和位移性转化上。 %%％该项目支持美国领先的材料理论家之一的持续工作。 首席研究者将他的分析理论改编为计算代码，这些计算代码模拟了相变过程中微观结构的发展。 材料特性与千分尺尺度上的结构密切相关，因此希望了解如何生成此类微观结构，以便可以使用感兴趣的属性设计材料。 在这个项目中，主要研究人员将将其工作从二维建模扩展到三个维度。 他将把模拟应用于各种重要的材料，在某些情况下可以将其与实验微观结构进行比较。 ***