Understanding creep in TiAl alloys on the nanosecond scale by molecular dynamics simulations

Molecular dynamics (MD) simulations of creep generally face the problem that most often evolves on time scales hard to capture with MD due their typically short step size. Consequently, studies use unrealistically high temperatures and stresses simplified atomistic models make creep-like processes happen computationally accessible scales. Apparently, this compromises physical reliability such studies. To alleviate problem, we designed an model titanium aluminide (TiAl) a microstructure matching at least many key parameters experimentally observed microstructures. We applied much lower than ones used in previous (well below yield stress) temperature range 0.55TM-0.7TM, melting TM. Compared typical studies, more realistic setup produces rates three orders magnitude smaller thus closer reality. identified driving mechanisms primary nanosecond scale agree very well recent experimental observations, contributing towards overarching goal bridging gap between continuum-scale for engineering applications.