Normal mode approach for predicting the mechanical properties of solids from first principles: Application to compressibility and thermal expansion of zeolites
- Author
- ASTALA, R1 ; AUERBACH, Scott M1 ; MONSON, P. A1
[1] Department of Chemistry and Department of Chemical Engineering, University of Massachusetts, Amherst, Massachusetts 01003, United States - Source
Physical review B. Condensed matter and materials physics. 2005, Vol 71, Num 1, pp 014112.1-014112.15 ; ref : 43 ref
- ISSN
- 1098-0121
- Scientific domain
- Metallurgy, welding; Condensed state physics
- Publisher
- American Physical Society, Ridge, NY
- Publication country
- United States
- Document type
- Article
- Language
- English
- Keyword (fr)
- Anharmonicité Dilatation thermique Elasticité Mode vibration Module compression Méthode fonctionnelle densité Polymorphisme Propriété mécanique Réseau cubique Silice 6220D 6540D
- Keyword (en)
- Anharmonicity Thermal expansion Elasticity Vibrational modes Bulk modulus Density functional method Polymorphism Mechanical properties Cubic lattices Silica
- Keyword (es)
- Módulo volumétrico
- Classification
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B60 Condensed matter: structure, mechanical and thermal properties / 001B60B Mechanical and acoustical properties of condensed matter / 001B60B20 Mechanical properties of solids / 001B60B20D Elasticity, elastic constants
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B60 Condensed matter: structure, mechanical and thermal properties / 001B60E Thermal properties of condensed matter / 001B60E40 Thermal properties of crystalline solids / 001B60E40D Thermal expansion; thermomechanical effects and density
- Discipline
- Physics of condensed state : structure, mechanical and thermal properties
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 16612204
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
10.1103/PhysRevB.71.014112 
https://dx.doi.org/10.1103/PhysRevB.71.014112
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