Open AccessQuantum-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
Author(s) -
Dmitry Vasilyev,
A. L. Udovsky
Publication year - 2020
Publication title -
journal of physics. conference series
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.21
H-Index - 85
eISSN - 1742-6596
pISSN - 1742-6588
DOI - 10.1088/1742-6596/1431/1/012059
Subject(s) - laves phase , ferromagnetism , materials science , molybdenum , condensed matter physics , phase (matter) , metallurgy , chemistry , physics , intermetallic , organic chemistry , alloy
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+C14Fe 2 Mo Laves phase boundary at low (room) temperatures.