236 citations · 1.7k across the 35 of their papers we have counts for
Showing 2020Show all
3 papers · 1 filter
cond-mat.mtrl-sci2020★ 6 cited
Trends in elastic properties of Ti-Ta alloys from first-principles calculations
Tanmoy Chakraborty, Jutta Rogal
The martensitic start temperature () is a technologically fundamental characteristic of high-temperature shape memory alloys. We have recently shown [Phys. Rev. B 94,…
cond-mat.mtrl-sci2020★ 17 cited
Role of pre-ordered liquid in the selection mechanism of crystal polymorphs during nucleation
Sarath Menon, Grisell Díaz Leines, Ralf Drautz +1
We investigate the atomistic mechanism of homogeneous nucleation during solidification in molybdenum employing transition path sampling. The mechanism is characterized by the forma…
cond-mat.mtrl-sci2020★ 21 cited
Identification of a Multi-Dimensional Reaction Coordinate for Crystal Nucleation in
Yanyan Liang, Grisell Díaz Leines, Ralf Drautz +1
Nucleation during solidification in multi-component alloys is a complex process that comprises the competition between different crystalline phases as well as chemical composition…