Ab initio lattice stability in comparison with CALPHAD lattice stability
- Author
- WANG, Y1 ; CURTAROLO, S2 ; JIANG, C1 ; ARROYAVE, R1 ; WANG, T1 ; CEDER, G3 ; CHEN, L.-Q1 ; LIU, Z.-K1
[1] Materials Science and Engineering, Pennsylvania State University, State College, PA 16802, United States
[2] Department of Mechanical Engineering and Materials Science, Duke University, Durham, NC 27708, United States
[3] Department of Materials Science and Engineering, MIT, Cambridge, MA 02139, United States - Source
Calphad. 2004, Vol 28, Num 1, pp 79-90, 12 p ; ref : 31 ref
- CODEN
- CCCTD6
- ISSN
- 0364-5916
- Scientific domain
- General chemistry, physical chemistry; Metallurgy, welding
- Publisher
- Elsevier, Amsterdam
- Publication country
- Netherlands
- Document type
- Article
- Language
- English
- Keyword (fr)
- Diagramme phase Etude théorique Méthode ab initio Stabilité Structure cristalline
- Keyword (en)
- Phase diagram Theoretical study Ab initio method Stability Crystalline structure
- Keyword (es)
- Diagrama fase Estudio teórico Método ab initio Estabilidad Estructura cristalina
- Classification
- Pascal
- 001 Exact sciences and technology / 001C Chemistry / 001C01 General and physical chemistry / 001C01E Chemical thermodynamics / 001C01E01 General. Theory
- Discipline
- General chemistry and physical chemistry
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 15989399
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
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DOI
10.1016/j.calphad.2004.05.002 
https://dx.doi.org/10.1016/j.calphad.2004.05.002
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