Unexpected Ground-State Structure and Mechanical Properties of Ir(2)Zr Intermetallic Compound

Using an unbiased structure searching method, a new orthorhombic Cmmm structure consisting of ZrIr(12) polyhedron building blocks is predicted to be the thermodynamic ground-state of stoichiometric intermetallic Ir(2)Zr in Ir-Zr systems. The formation enthalpy of the Cmmm structure is considerably l...

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Detalles Bibliográficos
Autores principales: Zhang, Meiguang, Cao, Rui, Zhao, Meijie, Du, Juan, Cheng, Ke
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2018
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5793601/
https://www.ncbi.nlm.nih.gov/pubmed/29320470
http://dx.doi.org/10.3390/ma11010103

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5793601/
https://www.ncbi.nlm.nih.gov/pubmed/29320470
http://dx.doi.org/10.3390/ma11010103

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