Publications
A. Obaied, F. Tang, I. Roslyakova, et al. ‘‘2 1/2th’’ generation Calphad databases: Extrapolating heat capacities of elements and compounds to 0K CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry 75 102352 (2021) abstract
K. Abrahams, S. Zomorodpoosh, A. Riyahi khorasgani, et al. Automated assessment of a kinetic database for fcc Co-Cr-Fe-Mn-Ni high entropy alloys Modelling and Simulation in Materials Science and Engineering 29 055007 (2021) abstract
S. D. P. Tumminello, M. Palumbo, J. Koßmann, et al. DFT-CEF approach for the thermodynamic properties and volume of stable and metastable Al–Ni compounds Metals 10 1142 (2020) abstract
A. Obaied, B. Bocklund, S. Zomorodpoosh, et al. Thermodynamic re-assessment of pure chromium using modified segmented regression model CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry 69 101762 (2020) abstract
Y. Tang, Y. Li, W. Zhao, et al. Thermodynamic descriptions of quaternary Mg-Al-Zn-Bi system supported by experiments and their application in descriptions of solidification behavior in Bi-additional AZ casting alloys Journal of Magnesium and Alloys (2020) abstract
P. Wang, T. Hammerschmidt, U. R. Kattner, et al. Structural stability of Co–V intermetallic phases and thermodynamic description of the Co–V system Calphad 68 101729 (2020) abstract
A. Jana, S. Sridar, S. G. Fries, et al. Thermodynamic modelling of the Ni–Zr system Intermetallics 116 106640 (2020) abstract
Y. Jiang, S. Zomorodpoosh, I. Roslyakova, et al. Thermodynamic re-assessment of the binary Cr–Ta system down to 0 K International Journal of Materials Research 110 797-807 (2019) abstract
D. Gaertner, K. Abrahams, J. Kottke, et al. Concentration-dependent atomic mobilities in FCC CoCrFeMnNi high-entropy alloys Acta Materialia 166 357-370 (2019) abstract
P. Wang, J. Koßmann, U. R. Kattner, et al. Thermodynamic assessment of the Co-Ta system Calphad 64 205-212 (2019) abstract
A. Müller, I. Roslyakova, M. Sprenger, et al. MultOpt++: a fast regression-based model for the development of compositions with high robustness against scatter of element concentrations Modelling and Simulation in Materials Science and Engineering 27 024001 (2019) abstract
N. J. Dupin, U. R. Kattner, B. Sundman, et al. Implementation of an effective bond energy formalism in the multicomponent Calphad approach Journal of Research of National Institute of Standards and Technology 123 123020 (2018) abstract
S. Tumminello, N. Del Negro, C. Carrascal, et al. Multiphase characterization of Cu-In-Sn alloys with 17 at.% Cu and comparison with calculated phase equilibria Journal of Phase Equilibria and Diffusion 38 276-287 (2017) abstract
B. Sundman, U. R. Kattner, C. Sigli, et al. The OpenCalphad thermodynamic software interface Computational Materials Science 125 188-196 (2016) abstract
O. Shchyglo, T. Hammerschmidt, M. Čák, et al. Atomistically informed extended Gibbs energy description for phase-field simulation of tempering of martensitic steel Materials 9 669 (2016) abstract
M. Ghasemi, B. Sundman, S. G. Fries, et al. The thermodynamic assessment of the Au-In-Ga system Journal of Alloys and Compounds 600 178–185 (2014) abstract
T. Hammerschmidt, I.A. Abrikosov, D. Alfe, et al. Including the effects of pressure and stress in thermodynamic functions Physica Status Solidi B 251 81-96 (2014) abstract
J. Rogal, S. V. Divinski, M. Finnis, et al. Perspectives on point defect thermodynamics Physica Status Solidi B 251 97-129 (2014) abstract
R. Mathieu, N. J. Dupin, J. C. Crivello, et al. CALPHAD description of the Mo–Re system focused on the sigma phase modelling CALPHAD 43 18-31 (2013) abstract
W. Song, U. Prahl, W. Bleck, Atomic analysis on bainitic reaction in high-carbon steel 100Cr6 8th International Symposium on Atomic Level Characterization for New Materials and Devices’11 (ALC’11) 84-86 (2011) abstract
O. Dezellus, R. Arroyave, S. G. Fries, Thermodynamic modelling of the Ag-Cu-Ti ternary system International Journal of Materials Research 03 286-294 (2011) abstract
J. Zhao, Y. Du, L. Zhang, et al. Thermodynamic assessment of the Sn-Sr system supported by first-principles calculations Thermochimica Acta 529 74-79 (2011) abstract
B. Seiser, R. Drautz, D. G. Pettifor, TCP phase predictions in Ni-based superalloys: Structure maps revisited Acta Materialia 59 749-763 (2011) abstract
Y. Liu, J. Wang, Y. Du, et al. Mobilities and diffusivities in fcc Fe-X (X = Ag, Au, Cu, Pd and Pt) alloys CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry 34 253-262 (2010) abstract
G. Cacciamani, A. Dinsdale, M. Palumbo, et al. The Fe-Ni system: thermodynamic modelling assisted by atomistic calculations Intermetallics 18 1148-1162 (2010) abstract
B. Hallstedt, D. Djurovic, J. von Appen, et al. Thermodynamic properties of cementite (Fe3C) CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry 34 129-133 (2010) abstract
Y. Liu, D. Liang, J. Zhang, Thermodynamic Descriptions for the Sn-Te and Pb-Sn-Te Systems Journal of Electronic Materials 29 246-257 (2010) abstract
Y. Liu, L. Zhang, Y. Du, et al. Ferromagnetic ordering and mobility end-members for impurity diffusion in bcc Fe CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry 33 732-736 (2009) abstract
Y. Liu, D. Liang, L. Zhang, Thermodynamic Descriptions for the Sn-Te and Pb-Sn-Te Systems Journal of Electronic Materials 39 246-257 (2009) abstract
S. G. Fries, B. Boettger, J. Eiken, et al. Upgrading CALPHAD to microstructure simulation: the phase-field method International Journal of Materials Research 100 128-134 (2009) abstract
B. Sundman, I. Ohnuma, N. Dupin, et al. An assessment of the entire Al-Fe system including DO3 ordering Acta Materialia 57 2896-2908 (2009) abstract
J. Imlau, W. Bleck, S. Zaefferer, et al. Development of a simulation approach to microstructure evolution during solidification and homogenization using the phase-field method Superalloys 951-960 (2008) abstract
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