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The Effect of Hydrogen on the Stress-Strain Response in Fe(3)Al: An ab initio Molecular-Dynamics Study
We performed a quantum-mechanical molecular-dynamics (MD) study of Fe [Formula: see text] Al with and without hydrogen atoms under conditions of uniaxial deformation up to the point of fracture. Addressing a long-lasting problem of hydrogen-induced brittleness of iron-aluminides under ambient condit...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8348469/ https://www.ncbi.nlm.nih.gov/pubmed/34361349 http://dx.doi.org/10.3390/ma14154155 |