@article{s.menon20201,
author = {S. Menon and G. Díaz Leines and R. Drautz and J. Rogal},
title = {Role of preordered liquid in the selection mechanism of crystal polymorphs during nucleation},
journal = {The Journal of Chemical Physics},
volume = {153},
OPTnumber = {},
OPTmonth = {01},
year = {2020},
OPTpages = {104508},
OPTnote = {},
OPTkey = {crystallography; molecular dynamics; Voronoi polyhedra; crystallization; supercooling; phase transitions; crystal structure; polymorphism; molybdenum; atomistic simulations;},
DOI = {10.1063/5.0017575}
}
@article{y.liang20201,
author = {Y. Liang and G. Díaz Leines and R. Drautz and J. Rogal},
title = {Identification of a multidimensional reaction coordinate for crystal nucleation in Ni$_3$Al},
journal = {The Journal of Chemical Physics},
volume = {152},
OPTnumber = {},
OPTmonth = {01},
year = {2020},
OPTpages = {224504},
OPTnote = {},
OPTkey = {condensed matter physics; reaction mechanisms; molecular dynamics; free energy landscapes; transition state theory; phase transitions; alloys; crystallization; statistical mechanics theories and methods; entropy},
DOI = {10.1063/5.0010074}
}
@article{x.zhang20201,
author = {X. Zhang and H. Wang and T. Hickel and J. Rogal and Y. Li and J. Neugebauer},
title = {Mechanism of collective interstitial ordering in FeC alloys},
journal = {Nature Materials},
volume = {19},
OPTnumber = {},
OPTmonth = {01},
year = {2020},
OPTpages = {849854},
OPTnote = {},
OPTkey = {atomistic models; metals and alloys; phase transitions and critical phenomena},
DOI = {10.1038/s4156302006779}
}