Table 1 Thermodynamics parameters of the ambient pressure melting point of model austenitic alloy Fe-14Ni-19.5Cr calculated with the interatomic potential15 in comparison with the experimental measurements for NIST SRM 316L stainless steel14.
Parameter | Experiment14 | MD calculations |
|---|---|---|
Melting temperature \(T_m, {\text {K}}\) | 1689 | 1762 |
Transition heat \(\Delta H_f, {\text {J}}/{\text {g}}\) | 254 | 287 |
Volume change \(\Delta V,~{A^3}\) per atom | 0.36 | 0.678 |
Solid density \(\rho ^{fcc}_m, {\text {g}}/{\text {cm}}^3\) | 7.112 | 7.554 |
Liquid density \(\rho ^{liq}_m,~{\text {g}}/{\text {cm}}^3\) | 6.920 | 7.157 |
Stacking fault energy \(\gamma ,~{\text {mJ}}/{\text {m}}^2\) | 20 | 130 |
