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SFB/Transregio 103 SUPERALLOY SINGLE CRYSTALS
Publications
T2
Data-based property prediction for single crystal superalloys T2 All Bibtex Entries BibTEX
Influence of refractory and platinum group metals on the microstructure
and thermo-physical properties of Co-Al-W-based superalloys
M. Köbrich, A. Förner , N. Volz , C.H. Zenk , S.G. Fries , M. Göken a, S. Neumeier
Journal of Alloys and Compounds 947 (2023) 169542
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Design of a Co–Al–W–Ta alloy series with varying Gamma' volume fraction and their thermophysical properties
N. Volz, F. Xue, A. Bezold, C.H. Zenk, S.G. Fries, J. Schreuer, S. Neumeier, and M. Goeken
Metallurgical and Materials Transactions A 52 (2021) pp. 3931-3944
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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) 106640
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Application of change-point analysis to the selection of representative data in creep experiments
S. Zomorodpoosh, N. Volz, S. Neumeier, I. Roslyakova
Journal of Physics Communications 4 (2020) 075024
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Comparison of statistically-based methods for automated weighting of experimental data in CALPHAD-type assessment
N. H. Paulson, S. Zomorodpoosh, I. Roslyakova, M. Stan
Calphad 68 (2020) 101728
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Thermodynamic re-assessment of pure chromium using modified segmented regression model
A. Obaied, B. Bocklund, S. Zomorodpoosh, L. Zhang, R. Otis, Z.-K. Liu, I. Roslyakova
Calphad 69 (2020) 101762
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Statistical approach for automated weighting of datasets: Application to heat capacity data
S. Zomorodpoosh, B. Bocklund, A. Obaied, R. Otis, Z.-K. Liu, I. Roslyakova
Calphad 71 (2020) 101994
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ESPEI for efficient thermody-namic database development, modification, and uncertainty quantification: application to Cu-Mg
B. Bocklund, R. Otis, A. Egorov, A. Obaied, I. Roslyakova, Z.K. Liu
accepted to publication in MRS Communications, Special Issue Research Letter: Artificial Intelligence [by invitation only] (2019)
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Thermodynamic re-assessment of binary Cr-Ta system down to 0 K
Y. Jiang, S. Zomorodpoosh, I. Roslyakova, L. Zhang
accepted for publication Int. J. Mat. Res. (2019)
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Comprehensive analysis of thermodynamic properties of calcium nitrate
D. Sergeev, B.H. Reis, M. Ziegner, I. Roslyakova, M. to Baen, K. Hack, M. Müller
J. Chem. Thermodyn. 134 (2019) pp. 187-194
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Mult Opt++: a fast regression-based model for the development of compositions with high robustness against scatter of element concentrations
A. Müller, I. Roslyakova, M. Sprenger, P. Git, R. Rettig, M. Markl, C. Körner, R.F. Singer
Mod. Sim. Mat. Sci. Eng. 27 (2019) article no.: 024001
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Thermodynamic assessment of the Co-Ta system
P. Wang, J. Koβmann, U.R. Kattner, M. Palumbo, T. Hammerschmidt, G. Olson
Calphad 64 (2019) pp. 205-212
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Implementation of an Effective Bond Energy Formalism in the Multicomponent Calphad Approach
N. Dupin, U. R. Kattner, B. Sundman, M. Palumbo, S. G. Fries
Journal of Research of National Institute of Standards and Technology 123 (2018) pp. 1-33
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Thermophysical and mechanical properties of advanced single crystalline Co-base superalloys
N. Volz, C.H. Zenk, R. Cherukuri, T. Kalfhaus, M. Weiser, S.K. Makineni, C. Betzing, M. Lenz, B. Gault, S.G. Fries, J. Schreuer, R. Vaßen, S. Virtanen, D. Raabe, E. Spiecker, S. Neumeier, M. Goeken
Met. Mat. Trans. A 49 (2018) pp. 4099-4109
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Thermodynamic re-assessment of binary Cr-Nb system down to 0 K
Y. Jiang, S. Zomorodpoosh, I. Roslyakova, L. Zhang
Calphad 62 (2018) pp. 109-118
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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 the base element in γ’ strengthened Cobalt/Nickel-base superalloys
C.H. Zenk, S. Neumeier, M. Kolb, N. Volz, S.G. Fries, O. Dolotko, I. Povstugar, D. Raabe, M. Goeken
in: Superalloys 2016: Proc. 13th Int. Symp. on Superalloys, edited by: M.Hardy et al., TMS (2016) pp. 971-980
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Intermediate Co/Ni-base superalloys - Thermophysical properties, creep and oxidation
C.H. Zenk, S. Neumeier, N.M. Engl, S.G. Fries, O. Dolotko, M. Weiser, S. Virtanen, M. Goeken
Scripta Mater. 112 (2016) pp. 83-86
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First-principles modeling of energetic and mechanical properties of Ni–Cr, Ni–Re and Cr–Re random alloys
A. Breidi, S. G. Fries, M. Palumbo A. V. Ruban
Computational Materials Science 117 (2016) pp. 45-53
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First-principles modeling of energetic and mechanical properties of Ni-Cr, Ni-Re and Cr-Re random alloys
A. Breidi, S.G. Fries, M. Palumbo, A.V. Ruban
Comput. Mater. Sci. 117 (2016) pp. 45-53
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Modeling of Gibbs energies of pure elements down to 0 K using segmented regression
I. Roslyakova, B. Sundman, H. Dette, L. Zhang, I. Steinbach
Calphad 55 (2016) pp. 165-180
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Ideal compressive strength of fcc Co, Ni, and Ni-rich alloys along the ⟨001⟩ direction: A first-principles study
A. A. Breidi, S. G. Fries, A. V. Ruban
Physical Review B 93 (2016) 144106
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OpenCalphad- a free thermodynamic software
B. Sundman, U. R. Kattner, M. Palumbo and S. G. Fries
Integrating Materials and Manufacturing Innovation Journal (IMMI) 4 (2015) pp. 2-15
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Anharmonicity, mechanical instability, and thermodynamic properties of the Cr-Re σ-phase
M. Palumbo, S. G. Fries, A.Pasturel and D. Alfe
J. Chem. Phys. 140 (2014) pp. 144502
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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, and G. Paul
Physica Status Solidi B 251 (2014) pp. 81-96
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Thermodynamic modelling of crystalline unary phases
M. Palumbo, B. Burton, A. Costa e Silva, B. Fultz, B. Grabowski, G. Grimvall, B. Hallstedt, O. Hellman, B. Lindahl, A. Schneider, P. E. Turchi, W. Xiong,
Physica Status Solidi B 251 (2014) pp. 14-32
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Reliability evaluation of thermophysical
properties from first-principles calculations
M. Palumbo , S. G. Fries , A Dal Corso , F. Körmann, T. Hickel and J. Neugebauer
Journal of Physics: Condensed Matter 26 (2014) pp. 335401
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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
Computational Materials Science 81 (2014) pp. 433-445
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First approach for thermodynamic modelling of the high temperature oxidation behaviour of ternary γ'-strengthened Co-Al-W superalloys
L. Klein, A Zendegani, M. Palumbo, S.G. Fries, S. Virtanen
Corrosion Science 89 (2014) pp. 1-5
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Microsegregation and secondary phase formation during directional solidification of the single-crystal Ni-Based superalloy LEK94
I. Lopez-Galilea, S. Huth, S. Fries, N. Warnken, I. Steinbach, W. Theisen
Metallurgical and Materials Transactions A 43 (2012) pp. 5153-5164
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