| About this Abstract |
| Meeting |
MS&T21: Materials Science & Technology
|
| Symposium
|
Integration between Modeling and Experiments for Crystalline Metals: From Atomistic to Macroscopic Scales III
|
| Presentation Title |
Thermodynamic Modeling of the Ga-Ni System Using the Third Generation Gibbs Free Energy Function for Pure Elements |
| Author(s) |
Liangyan Hao, Chen Shen, Hongbin Zhang, Wei Xiong |
| On-Site Speaker (Planned) |
Liangyan Hao |
| Abstract Scope |
Ni-Mn-Ga alloys are important functional materials due to the magnetic shape memory and magnetocaloric effects. In order to develop a multicomponent thermodynamic database for the Ni-Mn-Ga-based materials, thermodynamic modeling of the Ga-Ni system has been performed through a coupling of ab initio calculations and the CALPHAD method supported by experiments. Particularly, the third generation data for pure elements are considered to better describe the low-temperature thermodynamics and magnetic properties. Available experimental data of phase equilibria and thermodynamic properties are critically reviewed. The composition dependence of the Curie temperature and magnetic moment of the fcc solution phase are predicted by the ab initio calculations, and further utilized as the input for an improved magnetic model to evaluate the magnetic ordering energy. The optimized thermodynamic parameters can successfully reproduce the Ga-Ni phase diagram down to 0 K. The present thermodynamic modeling can serve as a basis for the Ni-Mn-Ga thermodynamic database. |