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SFB/Transregio 103 SUPERALLOY SINGLE CRYSTALS
Publications
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Atomistic modelling of TCP phases and extended defects in Ni- and Co-base superalloys with bond-order potentials C1 All Bibtex Entries BibTEX
Understanding creep of a single-crystalline Co-Al-W-Ta superalloy by studying the deformation mechanism, segregation tendency and stacking fault energy
N. Volz, F. Xue, C.H. Zenk, A. Bezold, S. Gabel, A.P.A. Subramanyam, R. Drautz, T. Hammerschmidt, S.K. Makineni, B. Gault, M.Göken, S.Neumeier
Acta Mater. 214 (2021) pp. 117019 (1-10)
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Tight-binding bond parameters for dimers across the periodic table from density-functional theory
J. Jenke , A.N. Ladines, T. Hammerschmidt , D.G. Pettifor, R. Drautz
Phys. Rev. Materials 5 (2021) pp. 023801 (1-13)
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DFT-CEF approach for the thermodynamic properties and volume of stable and metastable Al–Ni compounds
S. Tumminello, M. Palumbo, J. Koßmann, T. Hammerschmidt, P.R. Alonso, S. Sommadossi, S.G. Fries
Metals 10 (2020) pp. 1142 (1-19)
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Thermodynamic modelling of the Ni-Zr system
A. Jana, S. Sridar, S.G. Fries, T. Hammerschmidt, K.C.H. Kumar
Intermetallics 116 (2020) pp. 106640 (1-11)
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BOPcat software package for the construction and testing of tight-binding models and bond-order potentials
A.N. Ladines, T. Hammerschmidt, R. Drautz
Comp. Mat. Sci. 173 (2020) pp. 109455 (1-12)
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Experimental and theoretical investigation on phase formation and mechanical properties in Cr-Co-Ni alloys processed using a novel thin-film quenching technique
D. Naujoks, M. Schneider, S. Salomon, J. Pfetzing-Micklich, A. P. A. Subramanyam, T. Hammerschmidt, R. Drautz, J. Frenzel, A. Kostka, G. Eggeler, G. Laplanche, A. Ludwig
ACS Comb. Sci. 22 (2020) pp. 232-247
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Structural stability of Co–V intermetallic phases and thermodynamic description of the Co–V system
P. Wang, T. Hammerschmidt, U.R. Kattner, G. B. Olson
CALPHAD 68 (2020) pp. 101729 (1-7)
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Repair of Ni-based single-crystal superalloys using vacuum plasma spray
T. Kalfhaus, M. Schneider, B. Ruttert, D. Sebold, T. Hammerschmidt, J. Frenzel, R. Drautz, W. Theisen, G. Eggler, O. Guillon, R Vassen
Mater. Des. 168 (2019) pp. 107656
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Stress-induced formation of TCP phases during high temperature low cycle fatigue loading of the single-crystal Ni-base superalloy ERBO/1
C. Meid, M. Eggeler, P. Watermeyer, A. Kostka, T. Hammerschmidt, R. Drautz, G. Eggeler, M. Bartsch
Acta Mater. 168 (2019) pp. 343-352
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Imaging individual solute atoms at crystalline imperfections in metals
S.S. Katnagallu, L. Stephenson, I. Mouton, C. Freysoldt, A.P.A. Subramanyam, J. Jenke, A.N. Ladines, S. Neumeier, T. Hammerschmidt, R. Drautz, J. Neugebauer, F. Vurpillot, D. Raabe, B. Gault
New J. Phys. 21 (2019) pp. 123020 (1-10)
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BOPfox program for tight-binding and analytic bond-order potential calculations
T. Hammerschmidt, B. Seiser, M.E. Ford, A.N. Ladines, S. Schreiber, N. Wang, J. Jenke, Y. Lysogorskiy, C. Teijeiro, M. Mrovec, M. Cak, E.R. Margine, D.G. Pettifor, R. Drautz
Comp. Phys. Comm. 235 (2019) pp. 221-233
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Additive manufacturing of CMSX-4 Ni-base superalloy by selective laser melting: Influence of processing parameters and heat treatment
I. Lopez-Galilea, B. Ruttert, J. He, T. Hammerschmidt, R. Drautz, B. Gault, W. Theisen
Addit. Manuf. 30 (2019) pp. 100874 (1-12)
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Thermodynamic assessment of the Co-Ta system
P. Wang, J. Koßmann, U.R. Kattner, M. Palumbo, T. Hammerschmidt, G.B. Olson
Calphad 64 (2019) pp. 205-212
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{110} planar faults in strained bcc metals: Origins and implications of a commonly observed artifact of classical potentials
J.J. Möller, M. Mrovec, I. Bleskov, J. Neugebauer, T. Hammerschmidt, R. Drautz, C. Elsaesser, T. Hickel, E. Bitzek
Phys. Rev. Mat. 2 (2018) pp. 093606 (1-16)
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BOPfox program for tight-binding and analytic bond-order potential calculations
T. Hammerschmidt, B. Seiser, M.E. Ford, A.N. Ladines, S. Schreiber, N. Wang, J. Jenke, Y. Lysogorskiy, C. Teijeiro, M. Mrovec, M. Cak, E.R. Margine, D.G. Pettifor, R. Drautz
Comp. Phys. Comm. 235 (2018) pp. 221-233
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Development of single-crystal Ni-based superalloys based on multi-criteria numerical optimization and efficient use of refractory elements
M. Markl, A. Müller, N. Ritter, M. Hofmeister, D. Naujoks, H. Schaar, K. Abrahams, J. Frenzel, A.P.A. Subramanyam, A. Ludwig, J. Pfetzing-Micklich, T. Hammerschmidt, R. Drautz, I. Steinbach, R. Rettig, R.F. Singer, C. Körner
Met. Mat. Trans. A 49 (2018) pp. 4134-4145
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Electronic structure based descriptor for characterizing local atomic environments
J. Jenke, A.P.A. Subramanyam, M. Densow, T. Hammerschmidt, D.G. Pettifor, R. Drautz
Phys. Rev. B 98 (2018) pp. 144102 (1-12)
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Identification of a ternary m-phase in the Co-Ti-W system - An advanced correlative thin-film and bulk combinatorial materials investigation
D. Naujoks, Y.M. Eggeler, P. Hallensleben, J. Frenzel, S.G. Fries, M. Palumbo, J. Koßmann, T. Hammerschmidt, J. Pfetzing-Micklich, G. Eggeler, E. Spiecker, R. Drautz, A. Ludwig
Acta Mater. 138 (2017) pp. 100-110
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The role of local chemical composition for TCP phase precipitation in Ni-base and Co-base superalloys
T. Hammerschmidt, J. Koßmann, C.H. Zenk, S. Neumeier, M. Goeken, I. Lopez-Galilea, L. Mujica Roncery, S. Huth, A. Kostka, W. Theisen, R. Drautz
in: Superalloys 2016: Proc. 13th Int. Symp. on Superalloys, edited by: M.Hardy et al., TMS (2016) pp. 89-96
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The thermal stability of topologically close-packed phases in the single crystal Ni-base superalloy ERBO/1
I. Lopez-Galilea, J. Koßmann, A. Kostka, R. Drautz, L. Mujica Roncery, T. Hammerschmidt, S. Huth, W. Theisen
J. Mater. Sci. 51 (2016) pp. 2653-2664
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Crystal-structure analysis with moments of the density-of-states: Application to intermetallic topologically close-packed phases
T. Hammerschmidt, A.N. Ladines, J. Koßmann, R. Drautz
Crystals 6 (2016) pp. 18 (1-12)
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Bond-order potentials: derivation and parameterization for refractory elements
R. Drautz, T. Hammerschmidt, M. Cak, D.G. Pettifor
Modelling Simul. Mater. Sci. Eng. 23 (2015) pp. 074004
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Microsegregation and precipitates of an as-cast Co-base superalloy from microstructural characterisation and phase-stability modelling
J. Koßmann, C.-H. Zenk, I. Lopez-Galilea, S. Neumeier, A. Kostka, S. Huth, W. Theisen, M. Göken, R. Drautz, T. Hammerschmidt
J. Mater. Sci. 50 (2015) pp. 6329-6338
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Solubility and ordering of Ti, Ta, Mo and W on the Al sublattice in L1_2-Co3_Al
J. Koßmann, T. Hammerschmidt, S. Maisel, S. Müller, R. Drautz
Intermetallics 64 (2015) pp. 44-50
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Including the effects of pressure and stress in thermodynamic functions
T. Hammerschmidt, I.A. Abrikosov, D. Alfe, S.G. Fries, L. Hoglund, M.H.G. Jacobs, J. Koßmann, X.-G. Lu, G. Paul
Phys. Stat. Sol. B 251 (2014) pp. 81-96
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First-principles-based phase diagrams and thermodynamic properties of TCP phases in Re-X systems (X = Ta, V, W)
M. Palumbo, S. G. Fries, T. Hammerschmidt, T. Abe, J.-C. Crivello, A. Breidi, J-.M. Joubert, R. Drautz
Comp. Mat. Sci. 81 (2014) pp. 433-445
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Topologically closed-packed phases in binary transition-metal compounds: Matching high-throughput ab-initio calculations to an empirical structure-map
T. Hammerschmidt, A.F. Bialon, D.G. Pettifor, R. Drautz
New J. Phys. 15 (2013) pp. 115016
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