| Full text | |
| Author(s): |
Total Authors: 4
|
| Affiliation: | [1] Univ Sao Paulo, Dept Met & Mat Engn, Escola Politecn, Sao Paulo - Brazil
[2] Univ Leoben, Chair Nonferrous Met, Leoben - Austria
[3] Texas A&M Univ, Dept Mat Sci & Engn, College Stn, TX 77843 - USA
[4] Royal Inst Technol, Mat Sci & Engn, Stockholm - Sweden
Total Affiliations: 4
|
| Document type: | Journal article |
| Source: | CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY; v. 68, MAR 2020. |
| Web of Science Citations: | 1 |
| Abstract | |
Diffusion paths in system V - Nb - W - Al in the highly concentrated region (i. e as ``High Entropy Alloys{''}) are modelled using DICTRA code with commercial databases and with a new algorithm, based on the Cluster Variation Method (CVM). The DICIRA simulations, which produce realistic diffusion profiles, show that the diffusion path is non-linear. The CVM simulations, with parameters obtained by ab initio calculations, allow to investigate in an incremental way the effects of thermodynamics, of correlations and the role of the intrinsic diffusivities of the components. The results confirm the non-linear character of the diffusion path, and show that it is primarily driven by the complex thermodynamics characteristic of these alloys. When the intrinsic diffusivities are used, it is observed that the slowest diffusing species (in the present case, W) will constrain the whole diffusion process. This is likely the origin of the so called ``sluggish diffusion{''} effect and it is of kinetic origin, bearing no relation with the configurational entropy. (AU) | |
| FAPESP's process: | 18/22114-1 - Thermodynamics of highly concentrated alloys: reequiment of the Computational Materials Science Laboratory |
| Grantee: | Claudio Geraldo Schon |
| Support Opportunities: | Regular Research Grants |