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Thermal surface free energy and stress of iron

Absolute values of surface energy and surface stress of solids are hardly accessible by experiment. Here, we investigate the temperature dependence of both parameters for the (001) and (110) surface facets of body-centered cubic Fe from first-principles modeling taking into account vibrational, elec...

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Detalles Bibliográficos
Autores principales: Schönecker, Stephan, Li, Xiaoqing, Johansson, Börje, Kwon, Se Kyun, Vitos, Levente
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4594358/
https://www.ncbi.nlm.nih.gov/pubmed/26439916
http://dx.doi.org/10.1038/srep14860