First-Principles Study of Properties of Alpha Uranium Crystal and Seven Alpha Uranium Surfaces
Joint Authors
Source
Issue
Vol. 2017, Issue 2017 (31 Dec. 2017), pp.1-7, 7 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2017-11-08
Country of Publication
Egypt
No. of Pages
7
Main Subjects
Abstract EN
First-principles calculation based on the GGA methods has been applied to the prediction of the properties of bulk α-uranium and seven α-uranium surfaces.
The number of layers in the slab has great effects on the simulated surface properties.
The predicted surface properties are trustworthy when the slab number is nine or more.
The surface energies of the seven low index uranium surfaces are in the range from 1.756 to 2.151 J/m2.
The hybrid between the 5f orbital and 6d orbital also has somewhat impacts on the surface energies of uranium.
American Psychological Association (APA)
Huang, Shan-Qisong& Ju, Xue-Hai. 2017. First-Principles Study of Properties of Alpha Uranium Crystal and Seven Alpha Uranium Surfaces. Journal of Chemistry،Vol. 2017, no. 2017, pp.1-7.
https://search.emarefa.net/detail/BIM-1172481
Modern Language Association (MLA)
Huang, Shan-Qisong& Ju, Xue-Hai. First-Principles Study of Properties of Alpha Uranium Crystal and Seven Alpha Uranium Surfaces. Journal of Chemistry No. 2017 (2017), pp.1-7.
https://search.emarefa.net/detail/BIM-1172481
American Medical Association (AMA)
Huang, Shan-Qisong& Ju, Xue-Hai. First-Principles Study of Properties of Alpha Uranium Crystal and Seven Alpha Uranium Surfaces. Journal of Chemistry. 2017. Vol. 2017, no. 2017, pp.1-7.
https://search.emarefa.net/detail/BIM-1172481
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-1172481