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Meeting 2027 TMS Annual Meeting & Exhibition
Symposium Computational Thermodynamics and Kinetics
Presentation Title Development of a CALPHAD-Based Thermodynamic Database for Phase-Field Investigation of Oxygen-Interstitial-Mediated Eutectoid Lamellar Formation in Ti–Nb Alloys
Author(s) Kelechi Kenneth Anosike, Yijia Gu
On-Site Speaker (Planned) Kelechi Kenneth Anosike
Abstract Scope Interstitial oxygen plays a critical role in governing phase stability and microstructural evolution in β-Ti–Nb alloys by modifying the thermodynamic driving forces for phase separation. In this work, a CALPHAD thermodynamic database for the Ti–Nb–O system is developed and optimized to support phase-field modeling of interstitial-mediated eutectoid lamellar structure formation. Existing thermodynamic descriptions are refined using available experimental phase-equilibrium and compositional data over the temperature range of 800–1200°C. The optimized thermodynamic database is subsequently integrated with phase-field simulations to investigate the influence of oxygen partitioning on phase stability, phase transformation pathways, and microstructural evolution during thermal processing. This integrated computational framework establishes a thermodynamically consistent approach for modeling interstitial-driven phase transformations in refractory Ti–Nb alloys and provides a foundation for the computational design of advanced refractory materials through controlled interstitial engineering.
Proceedings Inclusion? Planned:
Keywords Computational Materials Science & Engineering, High-Temperature Materials, Phase Transformations

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