The Fe-Cu-Ni ternary alloy is of interest for nuclear applications because Cu and Ni are considered to have major effects on the embrittlement under irradiation of reactor pressure vessel steels. In this work a ternary Fe-Cu-Ni many-body potential consistent with thermodynamics is developed for the first time. Thermal ageing of an Fe-Cu-Ni alloy is simulated using atomistic kinetic Monte Carlo as a validation of the potential.
|Title of host publication||Tackling Materials Complexities via Computational Science|
|Place of Publication||Tallahassee, FL, United States|
|State||Published - 27 Oct 2008|
|Event||Fourth International Conference on Multiscale Materials Modeling - The Department of Scientific Computing, Florida State University, Tallahassee, Florida|
Duration: 27 Oct 2008 → 31 Oct 2008
|Conference||Fourth International Conference on Multiscale Materials Modeling|
|Period||2008-10-27 → 2008-10-31|