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 |
A Solution to the Temperature Evolution of Multi-well Free-energy |
Author(s) |
Yi Wang, Tiannan Yang, Shun-Li Shang, Long-Qing Chen, Zi-Kui Liu |
On-Site Speaker (Planned) |
Yi Wang |
Abstract Scope |
It has been a grand challenge to resolve the temperature evolution of multi-well free-energy landscape which is fundamentally relevant to phase transitions and associated critical phenomena as listed by Ginzburg [Rev. Mod. Phys. 76 (2004) 981]. Hereby we provide a simple solution, based on a priori concept of Boltzmann thermal mixing among multiple parabolic potentials. The approach is successfully demonstrated herein by studying the temperature dependences of the order parameters and heat capacities of various critical phenomena, including the superconductive phase transitions in Nb and YBa2Cu3O7, the metal-insulator and magnetic transitions in Ca3Ru2O7, the magnetic transition in Ni, the magnetic and ferroelectric transition in BiFeO3, and the ferroelectric transition in PbTiO3; indicating the capacity of the approach to address the exponential vanishing of the order parameter approaching the critical temperature and the exponential increasing of the heat capacity in a wide temperature range below the critical temperature. |
Proceedings Inclusion? |
Planned: |
Keywords |
Modeling and Simulation, Computational Materials Science & Engineering, Phase Transformations |