COMPUTER-SIMULATION OF DIFFUSION IN MULTIPHASE SYSTEMS
COMPUTER-SIMULATION OF DIFFUSION IN MULTIPHASE SYSTEMS
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DOI：
10.1007/bf02652288
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发表时间：
1994-06-01
影响因子：
2.8
通讯作者：
AGREN, J
中科院分区：
文献类型：
--
作者：
ENGSTROM, A;HOGLUND, L;AGREN, J
本文提出了一个处理多相分散体系中多组分扩散的通用模型。该模型基于多组分扩散数据和基本热力学数据，不含可调参数。只要有必要的热力学和动力学数据，对参与计算的组分或相的数量没有限制。新模型被实现到DICTRA软件中，该软件利用THERMO-CALC来处理热力学。该模型被应用于镍合金的渗碳和异种材料焊接接头的热处理。在这两种情况下，扩散都伴随着碳化物的形成或溶解。实验和计算之间的一个很好的协议被发现，尽管事实上，没有可调的参数是必要的。
A general model to treat multicomponent diffusion in multiphase dispersions is presented. The model is based on multicomponent diffusion data and basic thermodynamic data and contains no adjustable parameters. No restriction is placed on the number of components or phases that take part in the calculations, as long as the necessary thermodynamic and kinetic data are available. The new model is implemented into the DICTRA software, which makes use of THERMO-CALC to handle the thermodynamics. The model is applied to carburization of Ni alloys and heat treatment of welded joints between dissimilar materials. In both cases, the diffusion is accompanied by carbide formation or dissolution. A good agreement between experiments and calculations is found, despite the fact that no adjustable parameters are needed.