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2015 | 128 | 3 | 440-446
Article title

Studying Static, Dynamic and Transport Properties of Mg₃Bi₂

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Abstracts
EN
In this study, new potential parameters for Mg₃Bi₂ are proposed which is the Born-Mayer-Huggins type potential. Static, dynamic and transport properties are studied for this material from 300 K up to 1600 K with classical molecular dynamics simulation. Mechanical properties; like elastic constants (C_{11}, C_{12}, C_{13}, C_{33}, C_{44}), bulk modulus and shear modulus are found. All these data are compared with the limited number of experimental and first-principle studies. Our results give a good description of the Mg₃Bi₂ system: lattice constants, α → β transition temperature, melting temperature, diffusion coefficient, density and mechanical properties are promising.
Keywords
Year
Volume
128
Issue
3
Pages
440-446
Physical description
Dates
published
2015-09
received
2015-01-19
References
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Document Type
Publication order reference
YADDA identifier
bwmeta1.element.bwnjournal-article-appv128n335kz
Identifiers
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