@article{ Hammerschmidt14,
title = "Topologically closed-packed phases in binary transition-metal compounds: Matching high-throughput ab-initio calculations to an empirical structure-map",
journal = "New J. Phys.",
volume = "15",
number = "",
pages = "115016",
year = "2013",
note = "",
issn = "",
doi = "doi.org/10.1088/1367-2630/15/11/115016",
url = "",
author = "T. Hammerschmidt and A.F. Bialon and D.G. Pettifor and R. Drautz",
keywords = ""
 }
@article{ Palumbo15,
title = "First-principles-based phase diagrams and thermodynamic properties of TCP phases in Re-X systems (X = Ta, V, W)",
journal = "Comp. Mat. Sci.",
volume = "81",
number = "",
pages = "433-445",
year = "2014",
note = "",
issn = "",
doi = "doi.org/10.1016/j.commatsci.2013.08.051",
url = "",
author = "M. Palumbo and S. G. Fries and T. Hammerschmidt and T. Abe and J.-C. Crivello and A. Breidi and J-.M. Joubert and R. Drautz",
keywords = ""
 }
@article{ Hammerschmidt16,
title = "Including the effects of pressure and stress in thermodynamic functions",
journal = "Phys. Stat. Sol. B",
volume = "251",
number = "",
pages = "81-96",
year = "2014",
note = "",
issn = "",
doi = "doi.org/10.1002/pssb.201350156",
url = "",
author = "T. Hammerschmidt and I.A. Abrikosov and D. Alfe and S.G. Fries and L. Hoglund and M.H.G. Jacobs and J. Koßmann and X.-G. Lu and G. Paul",
keywords = ""
 }
@article{ Drautz79,
title = "Bond-order potentials: derivation and parameterization for refractory elements",
journal = "Modelling Simul. Mater. Sci. Eng.",
volume = "23",
number = "",
pages = "074004",
year = "2015",
note = "",
issn = "",
doi = "doi.org/ 10.1088/0965-0393/23/7/074004",
url = "",
author = "R. Drautz and T. Hammerschmidt and M. Cak and D.G. Pettifor",
keywords = ""
 }
@article{ Kossmann83,
title = "Solubility and ordering of Ti, Ta, Mo and W on the Al sublattice in L1_2-Co3_Al",
journal = "Intermetallics",
volume = "64",
number = "",
pages = "44-50",
year = "2015",
note = "",
issn = "",
doi = "doi.org/10.1016/j.intermet.2015.04.009",
url = "",
author = "J. Koßmann and T. Hammerschmidt and S. Maisel and S. Müller and R. Drautz",
keywords = ""
 }
@article{ Kossmann113,
title = "Microsegregation and precipitates of an as-cast Co-base superalloy from microstructural characterisation and phase-stability modelling",
journal = "J. Mater. Sci.",
volume = "50",
number = "",
pages = "6329-6338",
year = "2015",
note = "",
issn = "",
doi = "doi.org/10.1007/s10853-015-9177-8",
url = "",
author = "J. Koßmann and C.-H. Zenk and I. Lopez-Galilea and S. Neumeier and A. Kostka and S. Huth and W. Theisen and M. Göken and R. Drautz and T. Hammerschmidt",
keywords = ""
 }
@article{ Hammerschmidt221,
title = "BOPfox program for tight-binding and analytic bond-order potential calculations",
journal = "Comp. Phys. Comm.",
volume = "235",
number = "",
pages = "221-233",
year = "2019",
note = "",
issn = "",
doi = "doi.org/10.1016/j.cpc.2018.08.013",
url = "",
author = "T. Hammerschmidt and B. Seiser and M.E. Ford and A.N. Ladines and S. Schreiber and N. Wang and J. Jenke and Y. Lysogorskiy and C. Teijeiro and M. Mrovec and M. Cak and E.R. Margine and D.G. Pettifor and R. Drautz",
keywords = ""
 }
@article{ Wang224,
title = "Thermodynamic assessment of the Co-Ta system",
journal = "Calphad",
volume = "64",
number = "",
pages = "205-212",
year = "2019",
note = "",
issn = "",
doi = "doi.org/10.1016/j.calphad.2018.12.002",
url = "",
author = "P. Wang and J. Koßmann and U.R. Kattner and M. Palumbo and T. Hammerschmidt and G.B. Olson",
keywords = ""
 }
@article{ Kalfhaus226,
title = "Repair of Ni-based single-crystal superalloys using vacuum plasma spray",
journal = "Mater. Des.",
volume = "168",
number = "",
pages = "107656",
year = "2019",
note = "",
issn = "",
doi = "doi.org/10.1016/j.matdes.2019.107656",
url = "",
author = "T. Kalfhaus and M. Schneider and B. Ruttert and D. Sebold and T. Hammerschmidt and J. Frenzel and R. Drautz and W. Theisen and G. Eggler and O. Guillon and R Vassen",
keywords = ""
 }
@article{ Hammerschmidt417,
title = "The role of local chemical composition for TCP phase precipitation in Ni-base and Co-base superalloys",
journal = "in: Superalloys 2016: Proc. 13th Int. Symp. on Superalloys, edited by: M.Hardy et al., TMS",
volume = "",
number = "",
pages = "89-96",
year = "2016",
note = "",
issn = "",
doi = "",
url = "",
author = "T. Hammerschmidt and J. Koßmann and C.H. Zenk and S. Neumeier and M. Goeken and I. Lopez-Galilea and L. Mujica Roncery and S. Huth and A. Kostka and W. Theisen and R. Drautz",
keywords = ""
 }
@article{ Hammerschmidt418,
title = "Crystal-structure analysis with moments of the density-of-states: Application to intermetallic topologically close-packed phases",
journal = "Crystals",
volume = "6",
number = "",
pages = "18 (1-12)",
year = "2016",
note = "",
issn = "",
doi = "",
url = "",
author = "T. Hammerschmidt and A.N. Ladines and J. Koßmann and R. Drautz",
keywords = ""
 }
@article{ Lopez-Galilea419,
title = "The thermal stability of topologically close-packed phases in the single crystal Ni-base superalloy ERBO/1",
journal = "J. Mater. Sci.",
volume = "51",
number = "",
pages = "2653-2664",
year = "2016",
note = "",
issn = "",
doi = "",
url = "",
author = "I. Lopez-Galilea and J. Koßmann and A. Kostka and R. Drautz and L. Mujica Roncery and T. Hammerschmidt and S. Huth and W. Theisen",
keywords = ""
 }
@article{ Naujoks420,
title = "Identification of a ternary m-phase in the Co-Ti-W system - An advanced correlative thin-film and bulk combinatorial materials investigation",
journal = "Acta Mater.",
volume = "138",
number = "",
pages = "100-110",
year = "2017",
note = "",
issn = "",
doi = "",
url = "",
author = "D. Naujoks and Y.M. Eggeler and P. Hallensleben and J. Frenzel and S.G. Fries and M. Palumbo and J. Koßmann and T. Hammerschmidt and J. Pfetzing-Micklich and G. Eggeler and E. Spiecker and R. Drautz and A. Ludwig",
keywords = ""
 }
@article{ Hammerschmidt421,
title = "BOPfox program for tight-binding and analytic bond-order potential calculations",
journal = "Comp. Phys. Comm.",
volume = "235",
number = "",
pages = "221-233",
year = "2018",
note = "",
issn = "",
doi = "",
url = "",
author = "T. Hammerschmidt and B. Seiser and M.E. Ford and A.N. Ladines and S. Schreiber and N. Wang and J. Jenke and Y. Lysogorskiy and C. Teijeiro and M. Mrovec and M. Cak and E.R. Margine and D.G. Pettifor and R. Drautz",
keywords = ""
 }
@article{ Jenke422,
title = "Electronic structure based descriptor for characterizing local atomic environments",
journal = "Phys. Rev. B",
volume = "98",
number = "",
pages = "144102 (1-12)",
year = "2018",
note = "",
issn = "",
doi = "",
url = "",
author = "J. Jenke and A.P.A. Subramanyam and M. Densow and T. Hammerschmidt and D.G. Pettifor and R. Drautz",
keywords = ""
 }
@article{ Markl423,
title = "Development of single-crystal Ni-based superalloys based on multi-criteria numerical optimization and efficient use of refractory elements",
journal = "Met. Mat. Trans. A",
volume = "49",
number = "",
pages = "4134-4145",
year = "2018",
note = "",
issn = "",
doi = "",
url = "",
author = "M. Markl and A. Müller and N. Ritter and M. Hofmeister and D. Naujoks and H. Schaar and K. Abrahams and J. Frenzel and A.P.A. Subramanyam and A. Ludwig and J. Pfetzing-Micklich and T. Hammerschmidt and R. Drautz and I. Steinbach and R. Rettig and R.F. Singer and C. Körner",
keywords = ""
 }
@article{ Moeller424,
title = "{110} planar faults in strained bcc metals: Origins and implications of a commonly observed artifact of classical potentials",
journal = "Phys. Rev. Mat.",
volume = "2",
number = "",
pages = "093606 (1-16)",
year = "2018",
note = "",
issn = "",
doi = "",
url = "",
author = "J.J. Möller and M. Mrovec and I. Bleskov and J. Neugebauer and T. Hammerschmidt and R. Drautz and C. Elsaesser and T. Hickel and E. Bitzek",
keywords = ""
 }
@article{ Meid426,
title = "Stress-induced formation of TCP phases during high temperature low cycle fatigue loading of the single-crystal Ni-base superalloy ERBO/1",
journal = "Acta Mater.",
volume = "168",
number = "",
pages = "343-352",
year = "2019",
note = "",
issn = "",
doi = "doi.org/10.1016/j.actamat.2019.02.022",
url = "",
author = "C. Meid and M. Eggeler and P. Watermeyer and A. Kostka and T. Hammerschmidt and R. Drautz and G. Eggeler and M. Bartsch",
keywords = ""
 }
@article{ Lopez-Galilea74,
title = "Additive manufacturing of CMSX-4 Ni-base superalloy by selective laser melting: Influence of processing parameters and heat treatment",
journal = "Addit. Manuf.",
volume = "30",
number = "",
pages = "100874 (1-12)",
year = "2019",
note = "",
issn = "",
doi = "doi.org/10.1016/j.addma.2019.100874",
url = "",
author = "I. Lopez-Galilea and B. Ruttert and J. He and T. Hammerschmidt and R. Drautz and B. Gault and W. Theisen",
keywords = ""
 }
@article{ Jana108,
title = "Thermodynamic modelling of the Ni-Zr system",
journal = "Intermetallics",
volume = "116",
number = "",
pages = "106640 (1-11)",
year = "2020",
note = "",
issn = "",
doi = "doi.org/10.1016/j.intermet.2019.106640",
url = "",
author = "A. Jana and S. Sridar and S.G. Fries and T. Hammerschmidt and K.C.H. Kumar",
keywords = ""
 }
@article{ Ladines119,
title = "BOPcat software package for the construction and testing of tight-binding models and bond-order potentials",
journal = "Comp. Mat. Sci.",
volume = "173",
number = "",
pages = "109455 (1-12)",
year = "2020",
note = "",
issn = "",
doi = "doi.org/10.1016/j.commatsci.2019.109455",
url = "",
author = "A.N. Ladines and T. Hammerschmidt and R. Drautz",
keywords = ""
 }
@article{ Katnagallu120,
title = "Imaging individual solute atoms at crystalline imperfections in metals",
journal = "New J. Phys.",
volume = "21",
number = "",
pages = "123020 (1-10)",
year = "2019",
note = "",
issn = "",
doi = "doi.org/10.1088/1367-2630/ab5cc4",
url = "",
author = "S.S. Katnagallu and L. Stephenson and I. Mouton and C. Freysoldt and A.P.A. Subramanyam and J. Jenke and A.N. Ladines and S. Neumeier and T. Hammerschmidt and R. Drautz and J. Neugebauer and F. Vurpillot and D. Raabe and B. Gault",
keywords = ""
 }
@article{ Wang122,
title = "Structural stability of Co–V intermetallic phases and thermodynamic description of the Co–V system",
journal = "CALPHAD",
volume = "68",
number = "",
pages = "101729 (1-7)",
year = "2020",
note = "",
issn = "",
doi = "doi.org/10.1016/j.calphad.2019.101729",
url = "",
author = "P. Wang and T. Hammerschmidt and U.R. Kattner and G. B. Olson",
keywords = ""
 }
@article{ Naujoks142,
title = "Experimental and theoretical investigation on phase formation and mechanical properties in Cr-Co-Ni alloys processed using a novel thin-film quenching technique",
journal = "ACS Comb. Sci.",
volume = "22",
number = "",
pages = "232-247",
year = "2020",
note = "",
issn = "",
doi = "doi.org/10.1021/acscombsci.9b00170",
url = "",
author = "D. Naujoks and M. Schneider and S. Salomon and J. Pfetzing-Micklich and A. P. A. Subramanyam and T. Hammerschmidt and R. Drautz and J. Frenzel and A. Kostka and G. Eggeler and G. Laplanche and A. Ludwig",
keywords = ""
 }
@article{ Tumminello153,
title = "DFT-CEF approach for the thermodynamic properties and volume of stable and metastable Al–Ni compounds",
journal = "Metals",
volume = "10",
number = "",
pages = "1142 (1-19)",
year = "2020",
note = "",
issn = "",
doi = "doi.org/10.3390/met10091142",
url = "",
author = "S. Tumminello and M. Palumbo and J. Koßmann and T. Hammerschmidt and P.R. Alonso and S. Sommadossi and S.G. Fries",
keywords = ""
 }
@article{ Jenke206,
title = "Tight-binding bond parameters for dimers across the periodic table from density-functional theory",
journal = "Phys. Rev. Materials",
volume = "5",
number = "",
pages = "023801 (1-13)",
year = "2021",
note = "",
issn = "",
doi = "doi.org/10.1103/PhysRevMaterials.5.023801",
url = "",
author = "J. Jenke  and A.N. Ladines and T. Hammerschmidt  and D.G. Pettifor and R. Drautz",
keywords = ""
 }
@article{ Volz213,
title = "Understanding creep of a single-crystalline Co-Al-W-Ta superalloy by studying the deformation mechanism, segregation tendency and stacking fault energy",
journal = "Acta Mater.",
volume = "214",
number = "",
pages = "117019 (1-10)",
year = "2021",
note = "",
issn = "",
doi = "https://doi.org/10.1016/j.actamat.2021.117019",
url = "",
author = "N. Volz and F. Xue and C.H. Zenk and A. Bezold and S. Gabel and A.P.A. Subramanyam and R. Drautz and T. Hammerschmidt and S.K. Makineni and B. Gault and M.Göken and S.Neumeier",
keywords = ""
 }