Role of grain boundaries in the diffusion of hydrogen in nickel base alloy 600

Study coupling thermal desorption mass spectroscopy with numerical simulation

Caitlin Hurley (Corresponding Author), Frantz Martin, Loïc Marchetti, Jacques Chêne, Christine Blanc, Eric Andrieu

Research output: Contribution to journalArticleScientificpeer-review

8 Citations (Scopus)

Abstract

The role grain boundaries play in the diffusion of hydrogen in polycrystalline alloys has long been debated. Some researchers have found that grain boundaries have an accelerating effect on the transport of hydrogen across a metal membrane, while others have stated this network of sites may slow the diffusion of hydrogen or have a mixed effect depending on grain size and orientation. Thermal desorption mass spectroscopy (TDS) was used to study the diffusion of deuterium, from 294 K to 550 K, in model single crystal and polycrystalline nickel base alloy, alloy 600, having a grain size of several tens of micrometers. Using a numerical routine, solving Fick's second law of diffusion, TDS spectra were fit or simulated. The derived diffusion constant parameters (D0 = (1.0 ± 0.5)·10−2 cm2 s−1 and ED = (45 ± 4) kJ mol−1) for the polycrystalline alloy adequately predict and simulate the deuterium desorption from the single crystal during TDS testing. Furthermore, in the temperature range and for the grain size studied no significant effect of grain boundaries on the diffusion of deuterium in alloy 600 was observed. Consequently, the measured diffusion parameters are representative of interstitial diffusion in the alloy.
Original languageEnglish
Pages (from-to)17145-17153
Number of pages9
JournalInternational Journal of Hydrogen Energy
Volume41
Issue number38
DOIs
Publication statusPublished - Oct 2016
MoE publication typeNot Eligible

Fingerprint

Thermal desorption
Grain boundaries
mass spectroscopy
grain boundaries
desorption
Nickel
nickel
Spectroscopy
Hydrogen
Computer simulation
hydrogen
Deuterium
simulation
deuterium
grain size
Single crystals
single crystals
thermal diffusion
micrometers
interstitials

Keywords

  • deuterium
  • diffusion
  • hydrogen
  • grain boundaries
  • Ni base alloy
  • thermal desorption spectrometry

Cite this

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title = "Role of grain boundaries in the diffusion of hydrogen in nickel base alloy 600: Study coupling thermal desorption mass spectroscopy with numerical simulation",
abstract = "The role grain boundaries play in the diffusion of hydrogen in polycrystalline alloys has long been debated. Some researchers have found that grain boundaries have an accelerating effect on the transport of hydrogen across a metal membrane, while others have stated this network of sites may slow the diffusion of hydrogen or have a mixed effect depending on grain size and orientation. Thermal desorption mass spectroscopy (TDS) was used to study the diffusion of deuterium, from 294 K to 550 K, in model single crystal and polycrystalline nickel base alloy, alloy 600, having a grain size of several tens of micrometers. Using a numerical routine, solving Fick's second law of diffusion, TDS spectra were fit or simulated. The derived diffusion constant parameters (D0 = (1.0 ± 0.5)·10−2 cm2 s−1 and ED = (45 ± 4) kJ mol−1) for the polycrystalline alloy adequately predict and simulate the deuterium desorption from the single crystal during TDS testing. Furthermore, in the temperature range and for the grain size studied no significant effect of grain boundaries on the diffusion of deuterium in alloy 600 was observed. Consequently, the measured diffusion parameters are representative of interstitial diffusion in the alloy.",
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Role of grain boundaries in the diffusion of hydrogen in nickel base alloy 600 : Study coupling thermal desorption mass spectroscopy with numerical simulation. / Hurley, Caitlin (Corresponding Author); Martin, Frantz; Marchetti, Loïc ; Chêne, Jacques; Blanc, Christine; Andrieu, Eric.

In: International Journal of Hydrogen Energy, Vol. 41, No. 38, 10.2016, p. 17145-17153.

Research output: Contribution to journalArticleScientificpeer-review

TY - JOUR

T1 - Role of grain boundaries in the diffusion of hydrogen in nickel base alloy 600

T2 - Study coupling thermal desorption mass spectroscopy with numerical simulation

AU - Hurley, Caitlin

AU - Martin, Frantz

AU - Marchetti, Loïc

AU - Chêne, Jacques

AU - Blanc, Christine

AU - Andrieu, Eric

PY - 2016/10

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N2 - The role grain boundaries play in the diffusion of hydrogen in polycrystalline alloys has long been debated. Some researchers have found that grain boundaries have an accelerating effect on the transport of hydrogen across a metal membrane, while others have stated this network of sites may slow the diffusion of hydrogen or have a mixed effect depending on grain size and orientation. Thermal desorption mass spectroscopy (TDS) was used to study the diffusion of deuterium, from 294 K to 550 K, in model single crystal and polycrystalline nickel base alloy, alloy 600, having a grain size of several tens of micrometers. Using a numerical routine, solving Fick's second law of diffusion, TDS spectra were fit or simulated. The derived diffusion constant parameters (D0 = (1.0 ± 0.5)·10−2 cm2 s−1 and ED = (45 ± 4) kJ mol−1) for the polycrystalline alloy adequately predict and simulate the deuterium desorption from the single crystal during TDS testing. Furthermore, in the temperature range and for the grain size studied no significant effect of grain boundaries on the diffusion of deuterium in alloy 600 was observed. Consequently, the measured diffusion parameters are representative of interstitial diffusion in the alloy.

AB - The role grain boundaries play in the diffusion of hydrogen in polycrystalline alloys has long been debated. Some researchers have found that grain boundaries have an accelerating effect on the transport of hydrogen across a metal membrane, while others have stated this network of sites may slow the diffusion of hydrogen or have a mixed effect depending on grain size and orientation. Thermal desorption mass spectroscopy (TDS) was used to study the diffusion of deuterium, from 294 K to 550 K, in model single crystal and polycrystalline nickel base alloy, alloy 600, having a grain size of several tens of micrometers. Using a numerical routine, solving Fick's second law of diffusion, TDS spectra were fit or simulated. The derived diffusion constant parameters (D0 = (1.0 ± 0.5)·10−2 cm2 s−1 and ED = (45 ± 4) kJ mol−1) for the polycrystalline alloy adequately predict and simulate the deuterium desorption from the single crystal during TDS testing. Furthermore, in the temperature range and for the grain size studied no significant effect of grain boundaries on the diffusion of deuterium in alloy 600 was observed. Consequently, the measured diffusion parameters are representative of interstitial diffusion in the alloy.

KW - deuterium

KW - diffusion

KW - hydrogen

KW - grain boundaries

KW - Ni base alloy

KW - thermal desorption spectrometry

U2 - 10.1016/j.ijhydene.2016.07.038

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