About this Abstract |
Meeting |
2023 TMS Annual Meeting & Exhibition
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Symposium
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Materials Genome, CALPHAD, and a Career over the Span of 20, 50, and 60 Years: An FMD/SMD Symposium in Honor of Zi-Kui Liu
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Presentation Title |
The Materials Genome and Cross Effects in Transport Phenomena |
Author(s) |
John Agren |
On-Site Speaker (Planned) |
John Agren |
Abstract Scope |
Kinetic databases are essential in the materials genome. If several transport processes occur simultaneously many coefficients may be needed. For example, diffusion of one species may depend on the distribution of other, a temperature gradient may cause not only heat flow but also diffusion. A long time ago Onsager suggested that the flux of a quantity should be a linear function of all thermodynamic-potential gradients. The number of coefficients then is proportional to the number of processes squared. Onsager showed that the coefficient matrix is symmetric which gave a considerable decrease in the number of coefficients that should be stored in a database. When mobilities are introduced to represent isothermal diffusion the number of coefficients decreases drastically because it varies linearly with the number of processes. These matters have recently been discussed by Zi-Kui Liu and by the present author. The discussion will be reviewed and analyzed in this talk. |
Proceedings Inclusion? |
Planned: |
Keywords |
Computational Materials Science & Engineering, Phase Transformations, |