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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Paxton, Anthony Thomas
Imperial College London
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (10/10 displayed)
- 2020Ising-like models for stacking faults in a free electron metalcitations
- 2017Theoretical evaluation of the role of crystal defects on local equilibrium and effective diffusivity of hydrogen in ironcitations
- 2017Hydrogen embrittlement II.citations
- 2013Analysis of a carbon dimer bound to a vacancy in iron using density functional theory and a tight binding modelcitations
- 2010Microscopic origin of channeled flow in lamellar titanium aluminidecitations
- 2005Stability of Sr adatom model structures for SrTiO3(001) surface reconstructionscitations
- 2005Theory of the near K-edge structure in electron energy loss spectroscopycitations
- 2004Bismuth embrittlement of copper is an atomic size effectcitations
- 2001Material effects on stress-induced defect generation in trenched silicon-on-insulator structurescitations
- 2000Effect of relaxation on the oxygen K-edge electron energy-loss near-edge structure in yttria-stabilized zirconiacitations
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article
Hydrogen embrittlement II.
Abstract
This is the second of two papers that present a theoretical analysis of the phenomenon of hydrogen embrittlement of <br/>α<br/>-Fe. We make contact between the thermodynamic-kinetic continuum and cohesive zone models and the quantum-mechanical magnetic tight-binding approximation to interatomic forces. We are able to solve a coupled set of equations using quantum mechanically obtained atomistic data to follow the decohesion process in time as traction is applied to a hydrogen charged crystal and decohesion occurs between two (111) crystal planes. This scheme will be readily extended from transgranular to intergranular failure, although the complexities of the trapping sites in the cohesive zone associated with a grain boundary will greatly complicate the calculation of the configurational energy. Hydrogen-enhanced decohesion postulated widely in the field has not yet been demonstrated experimentally, although our calculations find a reduction in the ideal cohesive strength as a result of dissolved hydrogen in <br/>α<br/>-Fe from 30 to 22 GPa. Because of the well-known steep and nonlinear relation between plastic and ideal elastic work of fracture, this represents a very significant reduction in toughness as a result of a hydrogen concentration of less than ten atomic parts per million.