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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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