Experimental and atomistic study of the elastic properties of α′ Fe–C martensite Original Research Article

We calculate the elastic constants of Fe–C α′ single crystals and compare them to our own and previously published measurement data on polycrystals. Based on a recently developed interatomic interaction potential, discrepancies between our present experimental results and earlier measurements are discussed, and can be settled with the help of our simulation data. Atomistic data obtained with a different interatomic potential show less satisfactory agreement. Our results demonstrate a strong increase of the elastic anisotropy with carbon content, but only a mild dependence of the Debye temperature.