Open AccessHeat of fusion of rhenium from first-principle simulations and the Richards–Tammann relation
Author(s) -
D. V. Minakov,
P. R. Levashov,
Mikhail Paramonov
Publication year - 2019
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 - 10.1088/1742-6596/1385/1/012027
Subject(s) - enthalpy of fusion , rhenium , fusion , thermodynamics , enthalpy , materials science , molecular dynamics , melting temperature , chemistry , physics , computational chemistry , metallurgy , composite material , philosophy , linguistics , differential scanning calorimetry
We present quantum molecular dynamics calculations of thermophysical properties of expanded solid and liquid rhenium in the vicinity of melting. The dependence of specific enthalpy on temperature and the value of the heat of fusion is in good agreement with dynamic heating experimental data and do not confirm the high value of the enthalpy of fusion obtained using the Richards-Tammann relation.