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Prediction of interface structures and energies via virtual screening

Interfaces markedly affect the properties of materials because of differences in their atomic configurations. Determining the atomic structure of the interface is therefore one of the most significant tasks in materials research. However, determining the interface structure usually requires extensiv...

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Detalles Bibliográficos
Autores principales: Kiyohara, Shin, Oda, Hiromi, Miyata, Tomohiro, Mizoguchi, Teruyasu
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Association for the Advancement of Science 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5262449/
https://www.ncbi.nlm.nih.gov/pubmed/28138517
http://dx.doi.org/10.1126/sciadv.1600746