Normal mode approach for predicting the mechanical properties of solids from first principles: Application to compressibility and thermal expansion of zeolites

Physical Review B - Condensed Matter and Materials Physics

Volumn 71, Issue 1, 2005, Pages

  Astala, R ^a   Auerbach, Scott M ^a   Monson, P A ^a  

^a UNIVERSITY OF MASSACHUSETTS   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALPHA CRISTOBALITE; ALUMINOSILICA SODALITE; ALUMINUM; SILICON DIOXIDE; UNCLASSIFIED DRUG; ZEOLITE;

ARTICLE; CALCULATION; COMPRESSION; DENSITY FUNCTIONAL THEORY; MATHEMATICAL ANALYSIS; MECHANICS; MODEL; PARAMETER; PREDICTION; SOLID; TENSION; THEORY; VIBRATION; YOUNG MODULUS;

EID: 16844365886     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.71.014112     Document Type: Article

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