Electronic structural, elastic properties and thermodynamics of Mg 17Al 12, Mg 2Si and Al 2Y phases from first-principles calculations

Physica B: Condensed Matter

Volumn 407, Issue 7, 2012, Pages 1075-1081

  Huang, Z W ^a   Zhao, Y H ^a   Hou, H ^a   Han, P D ^b  

^a NORTH UNIVERSITY OF CHINA   (China)

^b TAIYUAN UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

Elastic properties; Electronic structure; First principles; MgAl alloys; Thermodynamics properties

Indexed keywords

BRITTLE BEHAVIOR; COHESIVE ENERGIES; ELASTIC PROPERTIES; FIRST PRINCIPLE CALCULATIONS; FIRST-PRINCIPLES; FIRST-PRINCIPLES CALCULATION; HEATS OF FORMATION; MG-AL ALLOYS; STRUCTURAL STABILITIES; THERMODYNAMICS PROPERTIES;

CALCULATIONS; DEBYE TEMPERATURE; ELASTIC MODULI; ELASTICITY; ELECTRONIC STRUCTURE; FRACTURE MECHANICS; PLASTICITY; SILICON; STABILITY; THERMODYNAMICS;

ALUMINUM;

EID: 84862798777     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2011.12.132     Document Type: Article

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