Quantum-mechanical calculations of the difference of structural energies C14 and bcc phases C14 Fe and Mo and formation energy of ferromagnetic C14 Fe2Mo Laves phase

The structural energies of iron and molybdenum in the BCC and C14 Laves phases in the Fe - Mo system, formation enthalpies and bulk elastic moduli are calculated for further use in the calculations of the BCC / BCC+C14Fe2Mo Laves phase boundary at low (room) temperatures.

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Bibliographic Details
Published in:Journal of physics. Conference series 2020-01, Vol.1431 (1)
Main Authors: Vasilyev, D A, Udovsky, A L
Format: Article
Language:English
Subjects:
Enthalpy
Ferromagnetism
Free energy
Heat of formation
Iron
Laves phase
Mathematical analysis
Modulus of elasticity
Molybdenum
Physics
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Description
Summary:The structural energies of iron and molybdenum in the BCC and C14 Laves phases in the Fe - Mo system, formation enthalpies and bulk elastic moduli are calculated for further use in the calculations of the BCC / BCC+C14Fe2Mo Laves phase boundary at low (room) temperatures.
ISSN:1742-6588
1742-6596
DOI:10.1088/1742-6596/1431/1/012059