Phase-field-based chemomechanical models for phase transitions and dislocation-microstructure interaction in metallic alloys with application to kappa-carbides

基于相场的金属合金相变和位错-微观结构相互作用的化学力学模型及其在卡帕碳化物中的应用

• 批准号: 387118820
• 负责人: Professor Dr. Franz Roters, since 5/2018
• 金额: --
• 依托单位: Max-Planck-Institut für Eisenforschung GmbH (MPIE)
• 依托单位国家: 德国
• 项目类别: Priority Programmes
• 财政年份: 2017
• 资助国家: 德国
• 起止时间: 2016-12-31 至 2020-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/387118820?language=en
• 关键词: Phase; field; based; chemomechanical; models

The proposed work is concerned with the formulation, comparison and application of phase-field-based chemomechanical models for metallic alloys undergoing phase transitions, dislocation-mediated finite deformation, and failure. On the methodological side, this is based for example on generalization and further development of existing approaches such as WBM (Wheeler-Böttinger-McFadden) and KKS (Kim-Kim-Suzuki) for chemical homogenization to large-deformation chemome-chanics. These will be compared with existing chemomechanical models for small deformation in the context for example of benchmark simulations and the modelling of excess interface energy. In addi-tion, models based on both artificial and physical (i.e., sublattice- and element-site-fraction-based) chemical order parameters will be extended to finite-deformation chemomechanics, facilitating cou-pling to CALPHAD. Likewise, the modelling of dislocation processes and failure will be included via the generalization of phase-field microelasticity for defects and phase-field fracture to finite defor-mation. Principle applications of the proposed method and model developments include the model-ling of precipitation, dislocation-solute interaction, and dislocation-precipitate interaction. Of par-ticular interest in this regard are Fe-Mn-C-Al-based low-density steel kappa-carbides.

所提出的工作涉及经历相变、位错介导的有限变形和失效的金属合金的基于相场的化学力学模型的制定、比较和应用。在方法方面，这是基于概括和进一步的。开发现有的方法，如 WBM (Wheeler-Böttinger-McFadden) 和 KKS (Kim-Kim-Suzuki)，用于化学均质化到大变形化学力学。与现有的小变形化学力学模型进行比较，例如基准模拟和过量界面能量的建模）化学顺序参数将扩展到有限变形化学力学，从而促进与 CALPHAD 的耦合。位错过程和失效将通过相场的推广被包括在内缺陷和相场断裂的微弹性到有限变形所提出的方法和模型开发的原理应用包括在这方面特别令人感兴趣的析出、位错-溶质相互作用和位错-析出物相互作用的建模。是 Fe-Mn-C-Al 基低密度钢 kappa 碳化物。