کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1448444 | 988674 | 2009 | 8 صفحه PDF | دانلود رایگان |
![عکس صفحه اول مقاله: Modified embedded-atom method interatomic potentials for the Fe–Ti–C and Fe–Ti–N ternary systems Modified embedded-atom method interatomic potentials for the Fe–Ti–C and Fe–Ti–N ternary systems](/preview/png/1448444.png)
Modified embedded-atom method (MEAM) interatomic potentials for the Fe–Ti–C and Fe–Ti–N ternary systems have been developed based on the previously developed MEAM potentials for sub-unary and binary systems. An attempt was made to find a way to determine ternary potential parameters using the corresponding binary parameters. The calculated coherent interface properties, interfacial energy, work of separation and misfit strain energy between body-centered cubic Fe and NaCl-type TiC or TiN were reasonable when compared with relevant first-principles calculations under the same condition. The applicability of the present potentials for atomistic simulations to investigate nucleation kinetics of TiC or TiN precipitates and their effects on mechanical properties in steels is also demonstrated.
Journal: Acta Materialia - Volume 57, Issue 11, June 2009, Pages 3140–3147