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Kinetic Pathways of Phase Decomposition Using Steepest-Entropy-Ascent Quantum Thermodynamics Modeling. Part I: Continuous and Discontinuous Transformations
- Source :
- Phys. Rev. E 99, 052121 (2019)
- Publication Year :
- 2018
-
Abstract
- The decomposition kinetics of a solid-solution into separate phases are analyzed with an equation of motion initially developed to account for dissipative processes in quantum systems. This equation and the steepest-entropy-ascent quantum thermodynamic framework of which it is a part make it possible to track kinetic processes in systems in non-equilibrium, while retaining the framework of classical equilibrium thermodynamics. The general equation of motion is particularized for the case of the decomposition of a binary alloy, and a solution model is used to build an approximate energy eigenstructure, or pseudo-eigenstructure, for the alloy system. This equation is then solved with the pseudo-eigenstructure to obtain a unique reaction path and the decomposition kinetics of the alloy. For a hypothetical solid-solution with a miscibility gap at low temperatures, the conditions under which this framework predicts a continuous transformation path (spinodal decomposition) or a discontinuous one (nucleation and growth) are demonstrated.<br />Comment: 12 pages
- Subjects :
- Condensed Matter - Statistical Mechanics
Condensed Matter - Materials Science
Subjects
Details
- Database :
- arXiv
- Journal :
- Phys. Rev. E 99, 052121 (2019)
- Publication Type :
- Report
- Accession number :
- edsarx.1809.10627
- Document Type :
- Working Paper
- Full Text :
- https://doi.org/10.1103/PhysRevE.99.052121