Numerical modeling of thermal desorption mass spectroscopy (TDS) for the study of hydrogen diffusion and trapping interactions in metals

Caitlin Hurley (1, 2) , Frantz Martin (1) , Loic Marchetti (1, 3) , Jacques Chêne (4) , Christine Blanc (2) , Eric Andrieu (2)

1 LECA - Laboratoire d'Etude de la Corrosion Aqueuse
2 CIRIMAT - Centre interuniversitaire de recherche et d'ingenierie des matériaux
3 LCLT - Laboratoire d'Etudes du Comportement à Long Terme des matériaux de conditionnement
4 CEA - Commissariat à l'énergie atomique et aux énergies alternatives

Deriving the kinetic reaction constants associated with hydrogen diffusion and trapping in metals from thermal desorption mass spectroscopy (TDS) spectra proves to be complicated and the existing analysis methods are subject to debate. This article will provide a brief background of several commonly employed analysis techniques and discuss the necessity of a more complex and rigorous analysis method for the determination of the kinetic constants associated with hydrogen trapping interactions. Furthermore, a numerical simulation method will be proposed using the McNabb & Foster equations to fit experimental TDS spectra in order to derive both diffusion and trapping/detrapping parameters, including the respective pre-exponential constants and activation energies associated with these interactions in metals.

Mots clés: Diffusion; Hydrogen; Hydrogen embrittlement; Numerical modeling; Thermal desorption mass spectroscopy; Trapping

Domaines: Matériaux

Caitlin Hurley, Frantz Martin, Loic Marchetti, Jacques Chêne, Christine Blanc, et al.. Numerical modeling of thermal desorption mass spectroscopy (TDS) for the study of hydrogen diffusion and trapping interactions in metals. International Journal of Hydrogen Energy, 2015, 40 (8), pp.3402-3414. ⟨10.1016/j.ijhydene.2015.01.001⟩. ⟨hal-01480522⟩