Thermodynamic and kinetic modelling hydrogenation of titanium particles and sheets

Use of hydrogen as a temporary alloying element in Ti alloys is an attractive approach to improve the mechanical properties of the materials, enhance processability and thereby reduce manufacturing costs. In this paper, the hydrogen diffusion process and the phase transformation both between Ti particles and in Ti sheets were simulated to analyze the mechanism of hydrogen diffusion in different phases (α-Ti, β-Ti and TiHx). With the simulation based on the kinetics and thermodynamics, quantitative behaviors of the hydrogen diffusion and the phase transformation were analyzed. The simulation results provide an insight into the diffusion process and improve the fundamental understanding of the mechanism of diffusion and phase transformation.