The influence of temperature on the elastic properties of body-centered cubic reduced activation steels

A first-principles based modeling approach to the effect of temperature on isothermal single-crystal and polycrystalline elastic parameters Fe-rich solid solutions is reported. The integrates alloy theory for chemical magnetic disorders with accessible experimental data equilibrium volume ferromagnetic phase transition, adopted predict temperature-dependent body-centered cubic three reduced activation steels, CLAM/CLF-1, F82H, EUROFER97, considered as high-temperature material in power reactors. predictions are assessed available a steel both theoretical pure Fe. Alloying effects constants relative Fe found differ magnetically ordered disordered phases. Contributions due loss long-range order, expansion, entropy important determining dependence all investigated materials. previously reported, peculiar magneto-volume phenomenon equation state gradually removed by alloying disordering, which requires particular attention when describing thermo-chemical derived from solutions. • comprehensive picture properties provided. Loss expansion temperature-dependence parameters. alloyingor disordering.