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Kinetic pathways of ordering and phase separation using classical solid state models within the steepest-entropy-ascent quantum thermodynamic framework
- Source :
- Acta Materialia. 182:87-99
- Publication Year :
- 2020
- Publisher :
- Elsevier BV, 2020.
-
Abstract
- The kinetics of ordering and concurrent ordering and phase separation are analyzed with an equation of motion initially developed to account for dissipative processes in quantum systems. A reduced-order energy eigenstructure, or pseudo-eigenstructure, is constructed from a static concentration wave method to describe the configuration-dependent energy in a binary alloy. This pseudo-eigenstructure is used in conjunction with an equation of motion that follows steepest entropy ascent to calculate the kinetic path that leads to ordering and phase separation in a series of hypothetical alloys. By adjusting the thermodynamic solution parameters, it is demonstrated that the model can predict: (a) the stable equilibrium state, (b) the unique thermodynamic path and kinetics of continuous or discontinuous ordering, and (c) the kinetics of concurrent processes involving simultaneous ordering and phase separation.
- Subjects :
- 010302 applied physics
Materials science
Polymers and Plastics
Kinetics
Binary alloy
Metals and Alloys
Solid-state
Equations of motion
Thermodynamics
Stable equilibrium
02 engineering and technology
021001 nanoscience & nanotechnology
Kinetic energy
01 natural sciences
Electronic, Optical and Magnetic Materials
0103 physical sciences
Ceramics and Composites
Dissipative system
0210 nano-technology
Quantum
Subjects
Details
- ISSN :
- 13596454
- Volume :
- 182
- Database :
- OpenAIRE
- Journal :
- Acta Materialia
- Accession number :
- edsair.doi...........b8fc937e0ff88f37023a31a50106d977