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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
Publicado en:Sci Rep
Autores principales: Schönecker, Stephan, Li, Xiaoqing, Johansson, Börje, Kwon, Se Kyun, Vitos, Levente
Formato: Artigo
Lenguaje:Inglês
Publicado: Nature Publishing Group 2015
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Acceso en línea:https://ncbi.nlm.nih.gov/pmc/articles/PMC4594358/
https://ncbi.nlm.nih.gov/pubmed/26439916
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/srep14860
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