@article{w.a.counts20091, author = {W. A. Counts and M. Friák and D. Raabe and J. Neugebauer}, title = {Using ab initio calculations in designing bcc Mg–Li alloys for ultralightweight applications}, journal = {Acta Materialia}, volume = {57 }, OPTnumber = {}, OPTmonth = {01}, year = {2009}, OPTpages = {6976}, OPTnote = {}, OPTkey = {}, DOI = {10.1016/j.actamat.2008.08.037} } @article{a.udyansky20091, author = {A. Udyansky and J. von Pezold and V. N. Bugaev and M. Friák and J. Neugebauer}, title = {Interplay between longrange elastic and shortrange chemical interactions on FeC martensite formation}, journal = {Physical Review B}, volume = {79}, OPTnumber = {}, OPTmonth = {01}, year = {2009}, OPTpages = {224112, 15}, OPTnote = {}, OPTkey = {}, DOI = {10.1103/PhysRevB.79.224112} } @article{t.hickel20091, author = {T. Hickel and A. Dick and B. Grabowski and F. Körmann and J. Neugebauer}, title = {Steel design from fully parameterfree ab initio computer simulations}, journal = {Steel Research International}, volume = {80}, OPTnumber = {}, OPTmonth = {01}, year = {2009}, OPTpages = {48}, OPTnote = {}, OPTkey = {}, DOI = {10.2374/SRI08SP109} } @article{f.k\"ormann20091, author = {F. Körmann and A. Dick and T. Hickel and J. Neugebauer}, title = {Pressure dependence of the Curie temperature in bcc iron studied by ab initio simulations}, journal = {Physical Review B}, volume = {79}, OPTnumber = {}, OPTmonth = {01}, year = {2009}, OPTpages = {184406184411}, OPTnote = {}, OPTkey = {}, DOI = {10.1103/PhysRevB.79.184406} } @article{m.a.uijttewaal20091, author = {M. A. Uijttewaal and T. Hickel and J. Neugebauer and M. E. Gruner and P. Entel}, title = {Understanding the phase transitions of the Ni$_2$MnGa magnetic shape memory system from first principles}, journal = {Physical Review Letters}, volume = {102}, OPTnumber = {}, OPTmonth = {01}, year = {2009}, OPTpages = {035702, 14}, OPTnote = {}, OPTkey = {}, DOI = {10.1103/PhysRevLett.102.035702} } @article{b.grabowski20091, author = {B. Grabowski and L. Ismer and T. Hickel and J. Neugebauer}, title = {Ab initio up to the melting point: anharmonicity and vacancies in aluminium}, journal = {Physical Review B}, volume = {79}, OPTnumber = {}, OPTmonth = {01}, year = {2009}, OPTpages = {134106, 116}, OPTnote = {}, OPTkey = {}, DOI = {10.1103/PhysRevB.79.134106} } @article{a.dick20091, author = {A. Dick and T. Hickel and J. Neugebauer}, title = {The effect of disorder on the concentrationdependence of stacking fault energies in Fe$_1x$Mn$_x$ A first principles study}, journal = {Steel Research International}, volume = {80}, OPTnumber = {}, OPTmonth = {01}, year = {2009}, OPTpages = {603 608}, OPTnote = {}, OPTkey = {}, DOI = {10.2374/SRI09SP015} } @article{l.lymperakis20091, author = {L. Lymperakis and M. Friák and J. Neugebauer}, title = {Atomistic calculations on interfaces: bridging the length and time scales}, journal = {The European Physics Journal Special Topics}, volume = {177}, OPTnumber = {}, OPTmonth = {01}, year = {2009}, OPTpages = {4157}, OPTnote = {}, OPTkey = {}, DOI = {10.1140/epjst/e2009011676} }