Computation for intermetallics

11:35 AM - 11:55 AM JST(2:35 AM - 2:55 AM UTC)

[Or39] Integrated computational design of FeTi alloys for hydrogen storage

*Ebert Alvares¹, Paul Jerabek¹, Thomas Klassen^1,2, Claudio Pistidda¹ (1. Helmholtz-Zentrum hereon (Germany), 2. Helmut-Schmidt University (Germany))

Keywords:

Computational Thermodynamics,Density Functional Theory,Phase-Field simulations,Multi-component design,Multi-scale simulations