22 citations · 23 across the 3 of their papers we have counts for
3 papers
DFT and MLIP study of solute segregation to coherent and semi-coherent α-Fe/FeC interfaces
Amin Reiners-Sakic, Ronald Schnitzer, David Holec
Solute segregation to interfaces significantly impacts material behavior. A large majority of theoretical works focus on grain boundaries and coherent interfaces. Studies on semi-c…
Amending CALPHAD databases using a neural network for predicting mixing enthalpy of liquids
Clement Vincely, Amin Reiners-Sakic, Vedant Dave +4
In order to establish the thermodynamic stability of a system, knowledge of its Gibbs free energy is essential. Most often, the Gibbs free energy is predicted within the CALPHAD fr…
Interplay between alloying and tramp element effects on temper embrittlement in bcc iron: DFT and thermodynamic insights
Amin Sakic, Ronald Schnitzer, David Holec
The details of the temper embrittlement mechanism in steels caused by impurities are unknown. Especially from an atomistic point of view, there are still open questions regarding t…