,
Hydrogen interactions with defects in crystalline solids, Rev. Mod. Phys, vol.64, pp.559-617, 1992. ,
Quantum Mechanical Calculation of H Embrittlement in Metals, Phys. Rev. Lett, vol.50, pp.1285-1288, 1983. ,
Computer simulation of H embrittlement in metals, Nature, vol.362, pp.435-437, 1993. ,
Charge transfer mechanism of hydrogen-induced intergranular embrittlement of iron, Phys. Rev. B, vol.62, pp.13938-13941, 2000. ,
Crack propagation and cleavage initiation in Fe-2.6%-Si single crystals under controlled plastic crack tip opening rate in various gaseous environments, Acta Metall, vol.28, pp.265-272, 1980. ,
The synergistic action and interplay of hydrogen embrittlement mechanisms in steels and iron: Localized plasticity and decohesion, Eng. Fract. Mech, vol.21, p.106528, 2019. ,
Embrittlement of Interfaces by Solute Segregation, Mater. Sci. Eng. A, vol.107, pp.23-40, 1989. ,
,
Understanding and mitigating hydrogen embrittlement of steels: a review of experimental, modelling and design progress from atomistic to continuum, J. Mater. Sci, vol.53, pp.6251-6290, 2018. ,
A quantum-mechanically informed continuum model of hydrogen embrittlement, J. Mech. Phys. Solids, vol.52, pp.2403-2430, 2004. ,
Atomistic modelling of hydrogen segregation to the ?9 ,
URL : https://hal.archives-ouvertes.fr/hal-01170578
, Philos. Mag, vol.94, pp.2247-2261, 2014.
Enhanced grain boundary embrittlement of an Fe grain boundary segregated by hydrogen (H), J. Mater. Res, vol.27, pp.1589-1597, 2012. ,
Hydrogen-enhanced vacancy embrittlement of grain boundaries in iron, Phys. Rev. B, vol.88, issue.13pp, p.144107, 2013. ,
First-Principles Study on the Grain Boundary Embrittlement of Metals by Solute Segregation: Part II. Metal (Fe, Al, Cu)-Hydrogen (H) Systems, Metall. Mater. Trans. A, vol.42, pp.330-339, 2011. ,
The thermodynamics of decohesion, Acta Mater, vol.52, pp.1223-1235, 2004. ,
The diffusion and trapping of hydrogen in high purity aluminum, Acta Mater, vol.46, pp.6337-6349, 1998. ,
Hydrogen effect on shearing and cleavage of Al: A first-principles study, Phys. Rev. B, vol.84, pp.104103-104108, 2011. ,
Bernstein, publication of The Metallurgical Society of AIME, Effect of Hydrogen on Behavior of Materials, pp.455-468, 1976. ,
On the Thermodynamics of Adsorption at Interfaces as it Influences Decohesion, Metall. Trans. A, vol.11, pp.1501-1511, 1980. ,
, The room temperature H diffusivity in bulk fcc Al is approximately 10 -11 m 2 /s according to the most detailed analyses. Practical simulations in this work however involved the slow fracture limit, with the impurity hence automatically being treated as 'highly mobile
Analysis of hydrogen-enhanced decohesion across (111) planes in ?-Fe, Phys. Rev. Mater, vol.1, issue.10pp, p.33603, 2017. ,
Thermodynamic and kinetic aspects of interfacial decohesion, Acta Mater, vol.50, pp.3609-3622, 2002. ,
The Phenomena of Rupture and Flow in Solids, Phil. Trans. R. Soc. A, vol.221, pp.163-198, 1920. ,
Analysis of Stresses and Strains Near the End of a Crack Traversing a Plate, J. Appl. Mech, vol.24, pp.361-364, 1957. ,
Grain Boundary Decohesion by Impurity Segregation in a Nickel-Sulfur System, Science, vol.307, pp.393-397, 2005. ,
, Phys. Rev, vol.136, pp.864-871, 1964.
, Phys. Rev, vol.140, pp.1133-1138, 1965.
Supercell size convergence testing in uniaxial tensile test studies of an Al grain boundary: A proposed path to a robust analysis, Comput. Mater. Sci, vol.139, pp.39-47, 2017. ,
Solute segregation at [001] tilt boundaries in dilute f.c.c. alloys, Acta Mater, vol.46, pp.1221-1233, 1998. ,
Projector augmented-wave method, Phys. Rev. B, vol.50, pp.17953-17979, 1994. ,
From ultrasoft pseudopotentials to the projector augmented-wave method, Phys. Rev. B, vol.59, pp.1758-1775, 1999. ,
Generalized Gradient Approximation Made Simple, Phys. Rev. Lett, vol.77, pp.3865-3868, 1996. ,
High-precision sampling for Brillouin-zone integration in metals, Phys. Rev. B, vol.40, pp.3616-3621, 1989. ,
Special points for Brillouin-zone integrations, Phys. Rev. B, vol.13, pp.5188-5192, 1976. ,
Quantum-mechanical theory of stress and force, Phys. Rev. B, vol.32, pp.3780-3791, 1985. ,
Hydrogen in aluminum: First-principles calculations of structure and thermodynamics, Phys. Rev. B, vol.69, issue.16pp, p.144109, 2004. ,
Ab initio determination of the traction-separation curve for a metal grain boundary: a critical assessment of strategies, Modelling Simul. Mater. Sci. Eng, vol.24, issue.17pp, p.85014, 2016. ,
The structure of grain boundaries described as a packing of polyhedral, Acta Metall, vol.26, pp.1647-1663, 1978. ,
Effect of lateral contraction and magnetism on the energy release upon fracture in metals: First-principles computational tensile test, Phys. Rev. B, vol.79, issue.10pp, p.144114, 2009. ,
The role of hydrogen and other interstitials in the mechanical behavior of metals, Trans. ASM, vol.52, pp.54-80, 1960. ,
Diffusion of hydrogen within idealised grains of bcc-Fe: A kinetic Monte Carlo study, Phys. Rev. B, vol.86, issue.13pp, p.174110, 2012. ,
Ab initio studies of two Al grain boundaries subjected to mixed tension/shear mode loading: how shear may promote breakage, Modelling Simul. Mater Sci. Eng, vol.25, issue.17pp, p.64001, 2017. ,
Interactions between hydrogen impurities and vacancies in Mg and Al: A comparative analysis based on density functional theory, Phys. Rev. B, vol.80, issue.10pp, p.184110, 2009. ,
Blister formation and hydrogen retention in aluminium and beryllium: A modeling and experimental approach, Nucl. Mater. Energ, vol.12, pp.1178-1183, 2017. ,
A pseudopotential total energy study of impurity promoted intergranular embrittlement, J. Phys.: Condens. Matter, vol.2, pp.351-365, 1990. ,
Hydrogen embrittlement of a carbon segregated ?5(310)[001] symmetrical tilt grain boundary in ?-Fe, Mater. Sci. Eng. A, vol.612, pp.462-467, 2014. ,
A nanoscale mechanism of hydrogen embrittlement in metals, Acta Mater, vol.59, pp.1557-1569, 2011. ,
Vesta 3 for three-dimensional visualization of crystal, volumetric and morphology data, J. Appl. Crystallogr, vol.44, pp.1272-1276, 2011. ,