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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...

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Detalles Bibliográficos
Autores principales:	Šesták, Petr, Friák, Martin, Šob, Mojmír
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2021
Materias:	Article
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

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