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ICAMSDr. Dr. h.c. Suzana Fries
ICAMS
Ruhr-Universität Bochum
IC 02-715
Universitätsstr. 150
44801 Bochum
Tel.: +49 234 32 29369
E-Mail: suzana.g.fries@rub.de
Competences
Linking of matter to materials: understanding of phase stability from DFT results and experimental data and from that construct simple models to be used in simulations of properties of real alloys.
- N. Volz, C. Zenk, S. Fries, J. Schreuer, et al.
Design of a Co–Al–W–Ta alloy series with varying γ′ volume fraction and their thermophysical properties. Metallurgical and Materials Transactions A, 52, 3931–3944, (2021) - S. Tumminello, M. Palumbo, J. Koßmann, T. Hammerschmidt, et al.
DFT-CEF approach for the thermodynamic properties and volume of stable and metastable Al–Ni compounds. Metals, 10, 1142, (2020) - A. Jana, S. Sridar, S. Fries, T. Hammerschmidt, H. Kumar
Thermodynamic modelling of the Ni–Zr system. Intermetallics, 116, 106640, (2020) - H. C. Wang, C. Somsen, S. Fries, G. Eggeler
Effect of Nb on improving the impact toughness of Mo-containing low-alloyed steels. Journal of Materials Science, 54, 7307–7321, (2019) - X. W. Liu, G. Laplanche, A. Kostka, S. Fries, et al.
Columnar to equiaxed transition and grain refinement of cast CrCoNi medium-entropy alloy by microalloying with titanium and carbon. Journal of Alloys and Compounds, 775, 1068-1076, (2019) - N. Dupin, U. Kattner, B. Sundman, M. Palumbo, S. Fries
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) - T. Li, D. Kent, S. Fries
Nucleation driving force for ω-assisted formation of α and associated ω morphology in β-Ti alloys. Scripta Materialia, 155, 149-154, (2018) - N. Volz, R. Cherukuri, B. Gault, S. Fries, et al.
Thermophysical and mechanical properties of advanced single crystalline Co-base superalloys. Metallurgical and Materials Transactions A, 49, 4099–4109, (2018) - D. Naujoks, J. Frenzel, S. Fries, M. Palumbo, et al.
Identification of a ternary μ-phase in the Co-Ti-W system – An advanced correlative thin-film and bulk combinatorial materials investigation. Acta Materialia, 138, 100-110, (2017) - S. Tumminello, S. Fries
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) - B. Sundman, U. Kattner, C. Sigli, M. Stratmann, et al.
The OpenCalphad thermodynamic software interface. Computational Materials Science, 125, 188-196, (2016) - C. Zenk, S. Neumeier, M. Kolb, S. Fries, et al.
The role of the base element in γ-strengthened cobalt/nickel-base superalloys. Superalloys 2016: Proceedings of the 13th International Symposium on Superalloys, 971-980, (2016) - A. Breidi, S. Fries, M. Palumbo, A. Ruban
First-principles modeling of energetic and mechanical properties of Ni–Cr, Ni–Re and Cr–Re random alloys. Computational Materials Science, 117, 45-53, (2016) - A. Breidi, S. Fries, A. Ruban
Ideal compressive strength of fcc Co, Ni, and Ni-rich alloys along the ⟨001⟩ direction: A first-principles study. Physical Review B, 93, 144106, (2016) - C. Zenk, S. Neumeier, N. M. Engl, S. Fries, M. Göken
Intermediate Co/Ni-base model superalloys — Thermophysical properties, creep and oxidation. Scripta Materialia, 112, 83-86, (2016) - B. Sundman, U. Kattner, M. Palumbo, S. Fries
OpenCalphad - a free thermodynamic software. Integrating Materials and Manufacturing Innovation, 4, 1, (2015) - L. Klein, A. Zendegani, M. Palumbo, S. Fries
First approach for thermodynamic modelling of the high temperature oxidation behaviour of ternary γ strengthened Co-Al-W superalloys. Corrosion Science, 89, 1-5, (2014) - M. Ghasemi, B. Sundman, S. Fries, J. Johansson
The thermodynamic assessment of the Au-In-Ga system. Journal of Alloys and Compounds, 600, 178–185, (2014) - M. Palumbo, S. Fries, A. Dal Corso, F. Körmann, et al.
Reliability evaluation of thermophysical properties from first-principles calculations. Journal of Physics: Condensed Matter, 26, 335401, (2014) - M. Palumbo, S. Fries, A. Pasturel, D. Alfe
Anharmonicity, mechanical instability, and thermodynamic properties of the Cr-Re σ-phase. The Journal of Chemical Physics, 140, 144502, (2014) - T. Hammerschmidt, I.A. Abrikosov, S. Fries, J. Koßmann
Including the effects of pressure and stress in thermodynamic functions. Physica Status Solidi B, 251, 81-96, (2014) - T. Hickel, U. Kattner, S. Fries
Computational thermodynamics: recent developments and future potential and prospects. Physica Status Solidi B, 251, 9-13, (2014) - M. Palumbo, S. Fries, T. Hammerschmidt, T. Abe, et al.
First-principles-based phase diagrams and thermodynamic properties of TCP phases in Re-X systems (X = Ta, V, W). Computational Materials Science, 81, 433-445, (2014) - F. Körmann, B. Grabowski, P. Söderlind, M. Palumbo, et al.
Thermodynamic modelling of chromium: strong and weak magnetic coupling. Journal of Physics: Condensed Matter, 25, 425401, (2013) - I. Lopez-Galilea, S. Huth, S. Fries, N. Warnken, et al.
Microsegregation and secondary phase formation during directional solidification of the single-crystal Ni based superalloy LEK94. Metallurgical and Materials Transactions A, 43, 5153–5164, (2012) - I. Lopez-Galilea, S. Huth, S. Fries, I. Steinbach
Simulation of the external pressure influence on the micro-structural evolution of a single crystal Ni-based superalloy. Advanced Materials Research, 278, 247-252, (2011) - N. Masquelier, H. Zapolsky, W. Lefebvre, S. Fries, et al.
Precipitation kinetics study of Al – Zr – X(Sc or Ti) alloys by phase-field simulations and atom-probe tomography. Solide State Phenomena, 172-174, 869-874, (2011) - M. Palumbo, T. Abe, S. Fries, A. Pasturel
First-principles approach to phase stability for a ternary σ phase: Application to Cr-Ni-Re. Physical Review B, 83, 144109, (2011) - O. Dezellus, R. Arroyave, S. Fries
Thermodynamic modelling of the Ag-Cu-Ti ternary system. International Journal of Materials Research, 03, 286-294, (2011) - A. Aghajani, S. Fries, I. Steinbach, G. Eggeler
On the formation and growth of Mo-rich Laves phase particles during long-term creep of a 12% chromium tempered martensite ferritic steel. Scripta Materialia, 61, 1068-1071, (2009) - P. K. Galenko, S. Fries, I. Steinbach
Dendritic solidification in undercooled Ni-Zr-Al melts: experiments and modeling. Acta Materialia, 57, 6166-6175, (2009) - N. Warnken, S. Fries, I. Steinbach
Phase-field modelling of as-cast microstructure evolution in nickel-based superalloys. Acta Materialia, 57, 5862-5875, (2009) - S. Fries, B. Boettger, I. Steinbach
Upgrading CALPHAD to microstructure simulation: the phase-field method. International Journal of Materials Research, 100, 128-134, (2009) - B. Sundman, S. Fries
An assessment of the entire Al-Fe system including DO3 ordering. Acta Materialia, 57, 2896-2908, (2009) - C. Colinet, S. Fries
Structural stability of intermetallic phases in the Sn Ti system. Calphad - Experimental and Computational investigation of intermetallic systems: A Special Issue Dedicated to Prof. Riccardo Ferro, 33, 250-259, (2009) - J. Imlau, W. Bleck, S. Fries, I. Steinbach
Development of a simulation approach to microstructure evolution during solidification and homogenization using the phase-field method. Superalloys, 951-960, (2008) - S. Fries, J. Nazon
Copper diffusion in TaN-based thin layers. Applied Surface Science, 254, 5670-5674, (2008) - C. Colinet, S. Fries
Constitutional and thermal defects in D019-SnTi3. Intermetallics, 16, 923-932, (2008) - H. L. Lukas, S. Fries
Computational thermodynamics: the CALPHAD method. Computational thermodynamics: the CALPHAD method, (2007) - I. Steinbach, B. Böttger, J. Eiken, N. Warnken, S. Fries
CALPHAD and phase field modeling: A successful liaison. Journal of Phase Equilibria and Diffusion, 28, 101-106, (2007) - N. Warnken, S. Fries, I. Steinbach
Phase-field simulations of microstructural evolution in Ni-base superalloys. Proceedings of the 5th decennial international conference on solidification processing, SP07, 109-112, (2007) - P. E. A. Turchi, S. Fries
Interface between quantum-mechanical-based approaches, experiments, and CALPHAD methodology. Calphad, 31, 4-27, (2007) - P. Amornpitoksuk, S. Fries
Experimental determination of phase equilibrium in the Fe-Co-Sb ternary system. Intermetallics, 15, 475-478, (2007) - I. Steinbach, B. Böttger, S. Fries
CALPHAD and phase-field modeling: A successful liaison. Journal of Phase Equilibria and Diffusion, 28, 101-106, (2007) - N. Dupin, S. Fries
Using Nb-Ni \mu-phase first principles results in the Bragg-Williams approximation. Philosophical magazine , 86, 1631 - 1641, (2006) - V. T. Witusiewicz, S. Fries
Enthalpies of formation of alloys measurements and thermodynamic description of the Ag-Cu-Zn system. International Journal of Materials Research, 97, 556-568, (2006) - V. T. Witusiewicz, S. Fries
Analysis of phase formation in Ni-rich alloys of the Ni-Ta-W system by calorimetry, DTA, SEM, and TEM. International Journal of Materials Research, 97, 440-449, (2006) - S. Fries, B. Sundman
Development of multicomponent thermodynamic databases for use in process modelling and simulations. Journal of Physics and Chemistry of Solids, 6, 226-230, (2005) - V. T. Witusiewicz, S. Fries
The Ag-Al-Cu system. II. A thermodynamic evaluation of the ternary system. Journal of Alloys and Compounds, 387, 217-227, (2005) - V. T. Witusiewicz, S. Fries
The Ag-Al-Cu system. I. Reassessment of the consistent binaries on the basis of new experimental data. Journal of Alloys and Compounds, 385, 133-143, (2004) - U. Hecht, S. Fries
Multiphase solification in multicomponent alloys. Materials Science and Engineering Reports, 46, 1-49, (2004) - M. G. Mecozzi, I. Steinbach, S. Fries
Multiphase-field model for multicomponent alloys coupled to thermdynamic databases. Modeling of Casting, Welding and Advanced Solidification Processes, X, 21-29, (2003) - S. Fries, B. Sundman
Using Re-W \sigma-phase first-principles results in the Bragg-Williams approximation to calculate finite-temperature thermodynamic properties. Physical Review B, 66, 012203, (2002) - B. Böttger, I. Steinbach, S. Fries
Alloy design for ultra-high temperature steam turbine application: Phase-field simulation of the remelting process. Materials for Advanced Power Engineering, 1333-1342, (2002) - B. P. Burton, S. Fries
Using ab initio calculations in the CALPHAD environment. Zeitschrift für Metallkunde, 92, 514-525, (2001) - P. Liang, S. Fries
Thermodynamic assessment of the Zr-O binary system. Zeitschrift für Metallkunde, 92, 747-756, (2001) - S. Fries, B. Sundman
Selected systems for exercising optimisations. \'Ecole d' \'et\'e de calculs thermodynamiques (Thermo 2000), 217-235, (2001) - E. Dichi, S. Fries
Assisting an experimental investigation by assessment and use of a thermodynamic description for the Cd-Ge system. Zeitschrift für Metallkunde, 92, 1078-1082, (2001) - V. Izard, S. Fries
Discussion on the stability of the antimony-zinc binary phases. Calphad, 25, 567-581, (2001) - U. Hecht,, S. Fries
Divorced eutectic growth in a ternary Al-Mn-Si alloy under microgravity. First International Symposium on Microgravity Research and Applications in Physical Sciences and Biotechnology, 454, 565-572, (2001) - S. Fries, I. Ansara
Thermodynamic optimisation of the Pb-Tl binary system. Journal of Alloys and Compounds, 320, 228-233, (2001) - F. Römermann, S. Fries
Phase diagram investigation and thermodynamic evaluation of the thallium-selenium system. Intermetallics, 8, 53-65, (2000) - I. Ansara, S. Fries
Applications of computational thermodynamics: Group 2: Models for composition dependence. Calphad, 24, 19-40, (2000) - H.-J. Diepers, S. Fries, I. Steinbach
Multicomponent multiphase solidification of Ni-base superalloys: Phae field simulations coupled to thermodynamic databases. Modeling of Casting, Welding and Advanced Solidificsation Processes, IX, 481-488, (2000) - U. Grafe, S. Fries
Coupling of multicomponent thermodynamic databases to a phase field model: application to solidification and solid state transformations of superalloys. Scripta Materialia, 42, 1179-1186, (2000) - H-J. Seifert, S. Fries
Computational phase studies in commercial aluminium and magnesium alloys. Materials Science and Technology, 16, 1429-1433, (2000) - B. Böttger, S. Fries
Simulation of microsegregation and microstructural evolution in directionally solidified superalloys. Materials Science and Technology Series, 16, 1425-1428, (2000) - S. Fries
On bridging the gap between ab initio phase diagram calculations and empirical thermodynamic assessments. The Japan Institute of Metals Proceedings Solid-Solid Phase Transformations, PTM’99, 12, 1665-1667, (1999) - Y. Feutelais, S. Fries
Thermodynamic evaluation of the system Silicium - Tellurium. Calphad, 23, 365-378, (1999) - U. Grafe, B. Böttger, S. Fries
Coupling of multicomponent thermodynamic databases to a phase-field model: Application to gamma prime growth in a ternary Ni-Al-Cr model alloy. The Japan Institute of Metals Proceedings Solid-Solid Phase Transformations, PTM’99, 12, 717-720, (1999) - B. Sundman, S. Fries
CALPHAD-Type assessement of the Au-Cu system using the cluster variation method. Zeitschrift für Metallkunde, 90, 267-273, (1999) - B. Sundman, S. Fries
Progress in modelling of order-disorder transformations with the compound energy formalism. The Japan Institute of Metals Proceedings Solid-Solid Phase Transformations, PTM’99, 12, 689-692, (1999) - A. Schlieper, S. Fries
Thermodynamic evaluation of the germanium-tellurium system. Calphad, 23, 1-18, (1999) - U. Grafe, S. Fries
Calculation of microsegregation for the directionally solidified superalloy CMSX 4 using a pseudo 2- dimensional model. Modelling of Casting, Welding and Advanced Solidification Process VIII, 227-234, (1998) - B. Böttger, I. Steinbach, S. Fries
Numerical simulation of metallic impurity distribution in MC-SI crystal growth and subsequent annealing. 2nd World Conference and Exhibition on Photovoltaic Solar Energy Conversion, 1347-1350, (1998) - S. Fries, I. Hurtado
Present achievements, problems and perspectives associated with a semi-empirical study of the Al-Cu-Mg-Si-Zn light alloy system. Journal of Alloys and Compounds, 267, 90-99, (1998) - Q. Chen, S. Fries
Phase equilibria, defect chemistry and semiconducting properties of CdTe(s)-thermodynamic modelling. Journal of Electronic Materials, 27, 961-971, (1998) - S. Fries, T. Jantzen
Compilation of CALPHAD formation enthalpy data-binary intermetallic compounds in the COST507 Gibbsian database. Thermochimica Acta , 314, 23-33, (1998) - B. Sundman, S. Fries
Thermodynamic assessment of the Au-Cu system. Calphad, 22, 335-354, (1998) - T. Buhler, S. Fries
A thermodynamic assessment of the Al-Cu-Mg ternary system. Journal of Phase Equilibria, 19, 317-333, (1998) - B. Sundman, S. Fries
Incorporation of cluster expansion theory into the compound energy formalism. Calphad , 22, 355-357, (1998) - S. Fries, H. L. Lukas, B. Sundman
The Bragg-Williams-Gorski (BWG) ordering treatment in the compound energy formalism (CEF). Berichte der Bunsengesellschaft für Physikalische Chemie, 102, 1102-1110, (1998) - P. J. Spencer, S. Fries
Application of evaluated thermodynamic data for light alloy systems to casting and heat treatment processes. Thermodynamics of Alloy Formation, TMS, 295-311, (1997) - T. Buhler, S. Fries
Modelling non-stoichiometric phases in the Mg-Cu-Zn-Al system. Journal de chimie physique et de physico-chimie biologique, Conference on Thermodynamics of Alloys 1996 Marseille, France, Sep 02-05, 1996, 94, 1043-1048, (1997) - T. Anderson, S. Fries
Solution thermodynamics of electronic materials. Calphad, 21, 265-285, (1997) - W. A. Oates, S. Fries
A cluster expansion or Cu-Au alloys based on experimental data. Calphad, 20, 481-489, (1996) - J. Gröbner, S. Fries
Re-assessment of the Y - O binary system. Zeitschrift für Metallkunde, 87, 88-91, (1996) - Y. Feutelais, S. Fries
Thermodynamic evaluation of the system Germanium-Tin. Calphad, 20, 109-123, (1996) - Y. Feutelais, S. Fries
Phase diagram investigation and proposition of a thermodynamic evaluation of the Tin-Selenium system. Journal of Phase Equilibria, 17, 40-49, (1996) - A. Boudene, S. Fries
Thermochemical measurements and assessment of the phase diagrams in the system Y-Ba-Cu-O. High temperature and materials science , 35, 159-179, (1996) - D. Risold, S. Fries
Thermodynamic optimization of the Ca-Cu and Sr-Cu systems. Calphad, 20, 151-160, (1996) - D. Risold, S. Fries
The Bismuth-Oxygen system. Journal of Phase Equilibria, 16, 223-234, (1995) - D. de Fontaine, S. Fries
Group 4: Lambda-transitions. Calphad, 19, 499-536, (1995) - R. Konetzki, S. Fries
The Ba–Y–Cu system:thermodynamic modelling, experiments and application. Zeitschrift für Metallkunde, 85, 748-755, (1994) - M. Harmelin, S. Fries
Calculation of the metastable equilibrium diagrams for the quasicrystalline phases in the Mn-Al system. Zeitschrift für Metallkunde, 85, 814-818, (1994) - G. C. Coelho, S. Fries
Thermodynamic optimization of the Nb-Fe system and comparison with the Ta-Fe system. Klaus Schulze Symposium on Processing and Applications of High Purity Refractory Metals and Alloys, 51-70, (1994) - S. Fries, H. L. Lukas
Experimental investigation and thermodynamic optimization of the Y–Cu binary system. Journal of Phase Equilibria, 15, 606-614, (1994) - I. Ansara, S. Fries
Al-As-Rh, Al-As-Mn,Al-As-Mo, Al-As-Ni, Al-As-Fe, Al-As-Hf, Al-As-Ir, Al-As-Ta, Al-As-Ti, Al-As-W, Al-As-Zr, Al-As-In. Ternary Alloys. A Comprehensive Compendium of Evaluated Costitutional Data and Phase Diagrams, ---, (1994) - R. Konetzki, S. Fries
The Ba–Cu binary system. Zeitschrift für Metallkunde, 84, 219-228, (1993) - J. G. Costa Neto, S. Fries
Thermodynamic optimisation of the Nb-Cr system. Calphad , 17, 219-228, (1993) - S. Fries, H. L. Lukas
Optimisation of the Mg-Sn system. JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE, 90, 181-187, (1993) - L. Lukas, S. Fries
Demonstration of the use of “BINGSS” with the Mg-Zn system as example. Journal of Phase Equilibria, 13, 532-541, (1992) - R. Agarwal, S. Fries
Assessment of the Mg-Zn system. Zeitschrift für Metallkunde, 83, 216-223, (1992) - U. Grafe, S. Fries
Demonstration of the use of “BINGSS” with the Mg–Zn System as example. Journal of Phase Equilibria, 13, 532-541, (1992) - S. Fries, H. L. Lukas
Calculation of the Al-Zn-Sn ternary system. User Aspects of Phase Diagrams: Proceedings of the International Conference Held at the Joint Research Centre, Petten, the Netherlands 25-27th June, 280-286 , (1991) - M. E. Brueckmann, S. Fries
. Radioatividade, textos de apoio ao professor de física. N. 2., (1991) - S. Fries, A. Maciel
The effect of pressure and temperature on the electric field gradient at 111Cd on In sites in the In-Bi intermetallic compound. Journal of Physics F: Metal Physics , 18, 813-821, (1988) - L. G. Brunnet, S. Fries
Pressure dependence of the electric field gradient in the AgIn2 intermetallic compound. Hyperfine Interactions, 39, 187-192, (1988) - S. Fries, E. R. Fraga
Indium substitution in YBa2Cu3O7. First Latin American Conference on High Temperature Superconductivity, (1988) - S. Fries, J. A. H. da Jornada
High pressure study of the electrical field gradient in In2Bi. Proceedings of the 9th AIRAPT, (1983) - S. Fries, H. L. Lukas
Study of the nuclear quadrupole interaction in Tl5Te3. Physica Status Solidi A, 80, 245-248, (1983) - S. Fries, J. A. H. da Jornada
Nuclearquadrupole interaction studies of the high pressure phase transition in In-Bi intermetallic compounds. Proceedings of the 8th AIRAPT Conference , (1982) - S. Fries, J. A. H. da Jornada
Experimental study of the electric field gradient in In5Bi3. Physica Status Solidi A, 74, 661-666, (1982) - M. R. Gallas, S. Fries
Nuclear quadrupole interaction studies of the high pressure phase transition in InSb. Hyperfine Interactions, 10, 979-982, (1981) - F. P. Livi, S. Fries
The magnetic hyperfine field at Hf sites in the (Zr, Hf)Fe2 laves pseudo-binary compound. Physica Status Solidi A, 53, -, (1979)
- 14.01.2019
Suzana Fries
Complex phases in applied alloys: Gibbs energies modelling supported by first-principles invited
TU Bergakademie Freiberg, Germany - 12.11.2018
Sara Catalina Pineda Heresi, Suzana Fries
Gibbs energies databases provided by CALPHAD
2nd Materials Chain International Conference 2018, Bochum, Germany - 18.10.2018
Suzana Fries, Ursula Kattner
Effective bond energy formalism in the multicomponent CALPHAD approach: an improvement of TCP phases descriptions based on first-principles data invited
Hero-m 2i, KTH, Stockholm, Sweden - 04.10.2018
Sara Catalina Pineda Heresi, Suzana Fries, Guillaume Laplanche
Study of ternary and binary subsets of the Cr-Ni-Pd system
16th Discussion Meeting on Thermodynamics of Alloys (TOFA 2018), Seoul, Korea - 02.10.2018
Suzana Fries
Nickel-Cobalt-based superalloys: A call for experimental thermodynamic data
16th Discussion Meeting on Thermodynamics of Alloys (TOFA 2018), Seoul, Korea - 06.09.2018
Sara Catalina Pineda Heresi, Suzana Fries
Successful implementation of the ICME approach for the CALPHAD method course
Thermo-Calc user meeting 2018, Aachen, Germany - 06.09.2018
Suzana Fries, Ursula Kattner
Effective Bond Energy Formalism in the multicomponent CALPHAD approach: An improvement of TCP phases descriptions based on first-principles data
6th International Workshop on Co-base Superalloys, Imperial College, London, UK - 04.07.2018
Suzana Fries
High temperature, high expectations invited
XVI International IUPAC conference on high temperature materials chemistry (HTMC-XVI), Ekaterinburg, Russia - 25.06.2018
Uzair Rehman, Sara Catalina Pineda Heresi, Swetha Pemma, Suzana Fries
Thermodynamic calculations using OpenCalphad
10 Years ICAMS - International Symposium, Ruhr-Universität Bochum, Germany - 25.06.2018
Sara Catalina Pineda Heresi, Suzana Fries
Driving force and interfacial energy of carbides in the Gr3 Steel by changing the element composition
10 Years ICAMS - International Symposium, Ruhr-Universität Bochum, Germany - 23.02.2018
Suzana Fries
Magnetic degrees of freedom, state of the art first-principles /CALPHAD modeling approaches invited
IMR Seminar, Tohoku University, Sendai, Japan - 26.03.2018
Suzana Fries
Magnetic degrees of freedom, state of the art first-principles/CALPHAD modeling approaches invited
Laboratory of Semiconductor Materials, EPFL, Lausanne, Switzerland - 13.06.2017
Asmita Jana, Suzana Fries, Thomas Hammerschmidt, Hari Kumar
Thermodynamic modeling of the Ni-Zr system
CALPHAD XLVI Conference, Saint-Malo, France - 13.06.2017
Seyed Mohammad Mehdi Noori, Suzana Fries, Jörg Koßmann
Stability study of Ni8V phase
CALPHAD XLVI Conference, Saint-Malo, France - 24.10.2016
Suzana Fries
Thermodynamic modeling using small data invited
Materials Science and Technology: Technical Meeting 2016, Salt Lake City, USA - 25.08.2016
Suzana Fries
The thermodynamics of high temperature materials supported by DFT calculations invited
Special Seminar at the School of Computing, Science and Engineering, Salford, UK - 18.07.2016
Suzana Fries, Christopher Zenk, Nathalie Dupin, Andreas Markström, et al.
Evaluation of Co-based thermodynamic databases with respect to own and literature experimental data
Beyond Nickel-Based Superalloys Conference II, Cambridge, UK - 16.05.2016
Suzana Fries, Abed Breidi
Mechanical properties of Ni-based solid solutions calculated from first-principles
Seminar at NanoLund Center for Nanoscience, Lund University, Sweden - 05.05.2016
Masoomeh Ghasemi, Suzana Fries, Martin Stankovski, Jonas Johansson
First-principles study and thermodynamic modelling of foreign impurities and native defects in GaAs
EMRS Spring Meeting, Lille, France - 13.11.2015
Suzana Fries, Mauro Palumbo
4000 and almost 100 years old materials, all new for DFT: Steels and Ni/Co-based super alloys invited
Imperial College, London, UK - 30.06.2015
Bo Sundman, Ursula Kattner, Mauro Palumbo, Suzana Fries
Advances in the development of OpenCalphad software and databases
PTM 2015: Solid Solid Phase Transformations in Inorganic Materials, Whistler, Canada - 16.06.2015
Suzana Fries
Thermodynamic descriptions including elastic properties for solid phases
ICAMS Advanced Discussions 2015, Bochum, Germany - 19.01.2015
Suzana Fries
Thermodynamic modeling as a link between basic and applied science invited
Indian Institute of Technology, Madras, India - 12.12.2014
Suzana Fries
A call for systematic evaluation of first-principles calculated thermodynamic quantities invited
Seminar at KTH Royal Institute of Technology, Stockholm, Sweden - 07.09.2014
Mauro Palumbo, Suzana Fries, Alain Pasturel, Dario Alfe
First-principles-based calculations of temperature-dependent thermodynamic properties of intermetallic compounds
TOFA 2014, Brno, Czech Republic - 07.09.2014
Mauro Palumbo, Jörg Koßmann, Gabriele Cacciamani, Suzana Fries, Thomas Hammerschmidt
A systematic DFT-based analysis of binary phase diagrams in the Bragg-Williams approximation
TOFA 2014, Brno, Czech Republik - 26.08.2014
Suzana Fries
Co-based superalloys database, a mixed approach: experiments, first-principles and modelling invited
3rd International Symposium on Phase-field Method - PFM2014, State College, Pennsylvania, USA - 28.07.2014
Jörg Koßmann, Mauro Palumbo, Thomas Hammerschmidt, Ralf Drautz, Suzana Fries
First-principles-based calculations of Al-base phase diagrams
5th Sino-German Symposium, Bochum, Germany - 22.07.2014
Suzana Fries
Thermodynamic quantities useful for microstructures invited
Pan American Materials Conference 2014, São Paulo, Brazil - 26.06.2014
Thomas Hammerschmidt, Jörg Koßmann, Arthur Bialon, Mauro Palumbo, et al.
From high-throughput DFT calculations to thermodynamic functions invited
1st International Workshop on Software Solutions for ICME, Rolduc, The Netherlands - 01.06.2014
Bo Sundman, Mauro Palumbo, Ursula Kattner, Suzana Fries
New features implemented in the Open CALPHAD software project
CALPHAD XLIII, Changsha, China - 12.05.2014
Abed Breidi, Mauro Palumbo, Suzana Fries
SAPIENS model platform for Co/Ni-superalloys – integration of experimental and theoretical data
EuroSuperalloys 2014, Giens, France - 17.02.2014
Suzana Fries, Mauro Palumbo, Abed Breidi, Jörg Koßmann, et al.
A many fold way to model the thermodynamics of Co-Al-W invited
TMS Annual Meeting and Exhibition, San Diego, USA - 14.11.2013
Suzana Fries
Co-base super alloys database, a mixed approach: experiments, first-principles and modelling invited
KTH Stockholm, Sweden - 11.11.2013
Jörg Koßmann, Abed Breidi, Suzana Fries, Thomas Hammerschmidt, Ralf Drautz
Dealing with disorder in periodic ab initio calculations
ICAMS Advanced Discussions, Bochum, Germany - 23.09.2013
Suzana Fries
Theory and experiments: opponents in a close alliance invited
Department of Physics, University of Lund, Sweden - 06.09.2013
Suzana Fries
The Ringberg workshop on unaries, RUW 2013: first-principles and experiments invited
Thermo-Calc Anwendertreffen, IEHK, Aachen, Germany - 23.07.2013
Suzana Fries, Mauro Palumbo, Abed Breidi
Towards a true predictive model database for the thermo-physical properties of Co-based alloys
International workshop on advanced cobalt-base superalloys, Erlangen, Germany - 10.07.2013
Bo Sundman, Ursula Kattner, Mauro Palumbo, Suzana Fries
An open source thermodynamic software and database structure as backbone for application software in materials science invited
2nd World Congress on Integrated Computational Materials Engineering (ICME), Salt Lake City, USA - 19.06.2013
Mauro Palumbo, Farnoosh Falsafi, Suzana Fries
First-principles-based calculations of thermophysical properties of pure elements
Sino-German Symposium, Veranstaltungszentrum, Beckmannshof, Ruhr-University Bochum, Bochum, Germany - 30.05.2013
Ursula Kattner, Bo Sundman, Mauro Palumbo, Suzana Fries
The Open Calphad initiative invited
CALPHAD XLII, San Sebastian, Spain - 29.05.2013
Mauro Palumbo, Suzana Fries, Dario Alfe, Alain Pasturel
Vibrational properties in TCP phases from first-principles calculations invited
CALPHAD XLII, San Sebastian, Spain - 29.05.2013
Suzana Fries, Tilmann Hickel
Thermodynamic description of unaries: an overview of the Ringberg Unary Workshop 2013 invited
CALPHAD XLII, San Sebastian, Spain - 28.05.2013
S. Chentouf, Mauro Palumbo, A. Janghorban, Caroline Antion, et al.
Temperature effects on structural and thermodynamic properties of ZrAl3 intermetallic compound
CALPHAD XLII, San Sebastian, Spain - 27.05.2013
Farnoosh Falsafi, Mauro Palumbo, Suzana Fries
First-principles temperature-dependent calculations on bcc and hcp Ti: a critical comparison with experimental data
CALPHAD XLII, San Sebastian, Spain - 27.05.2013
Jörg Koßmann, Mauro Palumbo, Abed Breidi, Suzana Fries, et al.
A combined DFT and compound energy formalism study of phase stability in the Co-W system
CALPHAD XLII, San Sebastian, Spain - 07.05.2013
Mauro Palumbo, Suzana Fries
The SAPIENS project: a 4 years trajectory inside thermodynamics
ICAMS² 2013, International Colloquium on Advanced Materials Simulation, Bochum, Germany - 05.05.2013
Irina Roslyakova, Holger Dette, Mauro Palumbo, Suzana Fries
SAPIENS Math: Mathematical issues in thermodynamic databases
ICAMS², Ruhr-Universität Bochum, Bochum, Germany - 03.03.2013
Bo Sundman, Ursula Kattner, Mauro Palumbo, Suzana Fries
The Open Calphad initiative invited
TMS 2013, San Antonio, USA - 08.11.2012
Sankari Sampath, Rebecca Janisch, Suzana Fries, Alexander Hartmaier
The role of coherency strain in the evolution of a metastable precipitate in a molybdenum-carbon binary system
Materials Day 2012, Ruhr-University Bochum, Germany - 29.10.2012
Mauro Palumbo, Suzana Fries
On the thermophysical properties and the solid-liquid transition of pure elements
SF2M Annual Meeting 2012, Paris, France - 24.09.2012
Suzana Fries
Theory and experiments: opponents in a close alliance invited
TOFA 2012, Discussion Meeting on Thermodynamics of Alloys, Pula, Croatia - 09.09.2012
Suzana Fries, Mauro Palumbo, Alvin Ladines, Thomas Hammerschmidt, Ralf Drautz
Mapping TCP multiphase stability by coupling first-priciples energetics to Gibbs thermodynamics
The 14th International IUPAC Conference on High Temperature Materials Chemistry, University of Science and Technology, Bejing, China - 24.08.2012
Sankari Sampath, Rebecca Janisch, Suzana Fries, Alexander Hartmaier
Role of coherency strain in the stabilization of a metastable precipitate of the Mo-C binary system
ICSMA 16, Bangalore, India - 04.07.2012
Suzana Fries
Extrapolations of thermodynamic properties
INSTN Summer School, Saclay, France - 28.06.2012
Bo Sundman, Ursula Kattner, Suzana Fries, Mauro Palumbo
An open software and database structure for thermodynamic and other materials properties
18th Symposium on Thermophysical Properties, Boulder, USA - 27.06.2012
Mauro Palumbo, Suzana Fries, Thomas Hammerschmidt, Fritz Körmann, Tilmann Hickel
SAPIENS thermophysical database for pure elements: DFT and experiments
18th Symposium on Thermophysical Properties, Boulder, USA - 21.06.2012
Suzana Fries
First principles and experimental thermophysical databases for elements relevant to Fe and Ni-based materials and its connection to microstructure properties invited
Bundesanstalt für Materialforschung und -prüfung, Berlin, Germany - 07.06.2012
Suzana Fries, Ursula Kattner, Mauro Palumbo, Bo Sundman
Open CALPHAD, a free software for thermodynamic calculations
CALPHAD XLI, Berkeley, USA - 07.06.2012
Mauro Palumbo, Fritz Körmann, Tilmann Hickel, Thomas Hammerschmidt, et al.
Progress on SAPIENS thermophysical database for unaries
CALPHAD XLI 2012, Berkeley, USA - 27.05.2012
Taichi Abe, Kiyoshi Hashimoto, Yukiko Sawada, Cenk Kocer, et al.
Improvements in the thermodynamic descriptions of the Fe-based systems
The 3rd International Symposium on Steel Science, Kyoto, Japan - 29.03.2012
Sankari Sampath, Rebecca Janisch, Suzana Fries, Alexander Hartmaier
Role of coherency strain in the stabilization of a metastable precipitate of the Mo-C binary system
DPG spring meeting, Berlin, Germany - 28.03.2012
Mauro Palumbo, Suzana Fries, Thomas Hammerschmidt, Ralf Drautz, et al.
SAPIENS, a DFT and experimental-based thermophysical database for pure elements
DPG Spring Meeting 2012, Berlin, Germany - 26.01.2012
Sankari Sampath, Rebecca Janisch, Suzana Fries, Alexander Hartmaier
The role of coherency strain on the structural stability of a metastable precipitate in Mo-C binary system
1st Austrain German workshop on computational materials design, Kramsach, Austria - 17.11.2011
Suzana Fries
Thermodynamische Methoden, Phasendiagramme
DGM-Fortbildung "Modellierung und Simulation", ICAMS, Ruhr-Universität Bochum, Bochum, Germany - 19.09.2011
Suzana Fries
Modeling thermophysical properties of materials invited
MATGEN-IV.3 - Materials for generation IV nuclear reactors, Lerici, Italy - 12.09.2011
Sankari Sampath, Rebecca Janisch, Suzana Fries, Alexander Hartmaier
The role of interface energy in the evolution of a metastable phase in the molybdenum-carbon binary system
EUROMAT 2011 - European Congress on Advanced Materials and Processes, Montpellier, France - 22.06.2011
Suzana Fries, Mauro Palumbo, Alain Pasturel
Temperature dependence of thermodynamic quantities calculated from first-principles invited
COST MP0602 HISOLD, final meeting, Brno, Czech Republic - 27.05.2011
Suzana Fries
CALPHAD connection to first-principles and microstructure simulations invited
XL CALPHAD Workshop "From First Principles to Multi-Scale Modeling of Materials", Rio de Janeiro, Brazil - 27.05.2011
Ursula Kattner, Bo Sundman, Mauro Palumbo, Suzana Fries
Open Calphad - software and databases invited
XL CALPHAD, Computer Coupling of Phase Diagrams and Thermochemistry, Rio de Janeiro, Brazil - 24.05.2011
Mauro Palumbo, Suzana Fries, Tilmann Hickel, Andrea Dal Corso, et al.
The challenge of covering thermodynamic properties not only at high temperature but also at low temperature: a progress report
XL CALPHAD, Computer Coupling of Phase Diagrams and Thermochemistry, Rio de Janeiro, Brazil - 24.05.2011
Suzana Fries
The role of CALPHAD in the science of materials invited
CALPHAD XL Conference, Rio de Janeiro, Brazil, 22.-27.05.2011 - 23.05.2011
Jean Crivello, Jean Joubert, Mauro Palumbo, Thomas Hammerschmidt, Suzana Fries
Calculating heat of formation using DFT: Some guidelines for the study of TCP phases
XL CALPHAD, Computer Coupling of Phase Diagrams and Thermochemistry, Rio de Janeiro, Brazil - 15.03.2011
Thomas Hammerschmidt, Arthur Bialon, Mauro Palumbo, Suzana Fries, Ralf Drautz
Phase diagrams from ab-initio calculations: Re-W and Fe-B
DPG Spring Meeting 2011, Dresden, Germany - 10.03.2011
Arthur Bialon, Thomas Hammerschmidt, Suzana Fries, Mauro Palumbo
Stability and synthesis of newly predicted Fe-B phases
ICAMS Advanced Discussion, Bochum, Germany - 29.09.2010
Arthur Bialon, Thomas Hammerschmidt, Suzana Fries, Mauro Palumbo, et al.
DFT and CALPHAD: predictive phase diagrams
ICAMS Scientific Retreat, Attendorn, Germany - 14.09.2010
Arthur Bialon, Thomas Hammerschmidt, Suzana Fries, Mauro Palumbo, et al.
CALPHAD phase diagrams from DFT calculations
Ψk (Psi-k) Conference 2010, Berlin, Germany - 14.09.2010
Mauro Palumbo, Jean Crivello, Taichi Abe, Suzana Fries
DFT study on Cr-Re-X, X=Ni, Mo ternary sigma phase stability
Ψk (Psi-k) Conference 2010, Berlin, Germany - 05.09.2010
N. Masquelier, Suzana Fries, Helena Zapolsky, W. Lefebvre, et al.
Al-Alloys development assisted by thermodynamics kinetics, phase field simulations and experiments
12th International Conference on Aluminium Alloys, Yokohama, Japan - 18.07.2010
Mauro Palumbo, Jean Crivello, Taichi Abe, Suzana Fries
News on Iron and Chromium: DFT and CALPHAD meet at 0K and heat up to finite temperatures invited
Gordon Conference 2010 / High Temperature Materials, Processes, and Diagnostics, Boston, USA - 06.06.2010
Mauro Palumbo, Taichi Abe, Suzana Fries, Nils Warnken
A first principles, CALPHAD and phase field approach to investigate tcp phase formation in the Cr-Ni-Re system invited
International Conference on Solid-Solid Phase Transformations, PTM 2010, Avignon, France - 23.05.2010
Mauro Palumbo, Malin Selleby, Bo Sundman, Tilmann Hickel, Suzana Fries
On the lattice stabilities of pure Cr and pure Fe
CALPHAD XXXIX, Jeju, South Korea - 25.05.2010
Mauro Palumbo, Taichi Abe, Irina Roslyakova, Suzana Fries, et al.
A combined thermodynamic and first-principles approach to predict TCP phase formation, using the Re-W and Re-Ta systems as examples
International Conference on Superalloys and their Applications, Freiburg, Germany - 23.05.2010
Suzana Fries, Mauro Palumbo, Thomas Hammerschmidt, Bo Sundman
The Sapiens project: a call for creating sustainable thermodynamic databases invited
CALPHAD XIXXX, Jeju, South Korea - 06.04.2010
Suzana Fries
CALPHAD modeling and microstructure simulations: the check list invited
Bratislava Slovakia Annual Joint Working Group Meeting, Bratislava, Slovakia - 23.03.2010
Thomas Hammerschmidt, Bernhard Seiser, Suzana Fries, Ingo Steinbach, et al.
Entropy stabilisation of topologically close-packed phases in binary transition metal alloys
DPG Spring Meeting 2010, Regensburg, Germany - 14.02.2010
Bo Sundman, Mauro Palumbo, Suzana Fries
Computational thermodynamics and kinetics presentation invited
2010 TMS Annual Meeting & Exhibition, Seattle, USA - 14.02.2010
Mauro Palumbo, Suzana Fries, Bo Sundman
Modelling ordering phenomena in condensed phases invited
TMS Annual Meeting and Exhibition 2010, Seattle, USA - 03.12.2009
Mauro Palumbo, Taichi Abe, Suzana Fries, Nils Warnken
Coupling DFT calculations and the CALPHAD approach: modelling of sigma phase and hydrogen storage materials invited
Centre National de la Recherche Scientifique (CNRS), Thiais, France - 28.09.2009
Suzana Fries
First principles and phase-field, two end-members linked by CALPHAD invited
Laboratório Nacional de Luz Síncrotron (LNLS), Campinas, Brazil - 24.09.2009
Suzana Fries, Bo Sundman, Ingo Steinbach
Metastable equilibria unveiled by DFT calculations and CALPHAD extrapolations used in phase field microstructure simulations invited
ICAM 2009 - 11th International Conference on Advances Materials VII Encontro SBPMat, Rio De Janeiro, Brazil - 15.09.2009
Suzana Fries
Ni-base superalloys: when basic knowledge meets applications invited
HTMC – XIII – 13th International IUPAC Conference on High Temperature Materials Chemistry, Davis (CA), USA - 10.09.2009
Suzana Fries, Bo Sundman
Consistent incorporation of elastic constants in Gibbsian's database invited
Thermo-Calc Anwendertreffen, Aachen, Germany - 30.08.2009
Suzana Fries, Bo Sundman
Consistent thermodynamics for phase-field simulations
PF09 - 2nd Symposium on Phase-Field Modelling in Materials Science and Engineering, Rolduc Abbey, Kerkrade, Netherlands - 08.06.2009
Suzana Fries
Starting a new era for thermodynamic databases
The second Sino-German Symposium on 'Computational Thermodynamics and Kinetics and Their Applications to Solidification', Aachen, Germany - 01.04.2009
Suzana Fries
About the thermodynamic modelling of the Al-Fe system
JEEP 09 - 35th conference on Phase Equilibria, Annecy, France - 27.10.2008
Suzana Fries
The sigma-phase
ICAMS, Raum UHW 1102
Professional Experience
2009 - present
Research Group Leader at ICAMS
1997 - present
Scientific consultant
2006-2007
Directeur de Recherche-CNRS, Université Montpellier II, Laboratoire de Physico-Chimie de la Matiere Condensée, Montpellier, France
2006
Researcher at the University of Vienna, Department for Inorganic Chemistry/Materials Chemistry, Vienna, Austria
2005
Professor, Université Montpellier II, Laboratoire de Physico-Chimie de la Matiere Condense, France
and Université Paris-Sud, Laboratoire de Chimie Physique
Minerale e Bioinorganique, Chatenay-Malabry, France
1997-2004
Staff Researcher of the Aachener Centrum für Erstarrung unter Schwerelosigkeit
e.V. (ACCESS), RWTH, Aachen, Germany
Projects:
*Microsegregation Model for KTH (Königlich Technische Universität Stockholm)
*Thermodynamic Support for Macro and Micro simulations for Ni- alloys and other
systems metallic systems.
*Thermodynamic equilibrium calculations integrated to Microstructure simulations.
1994-1997
Researcher at Lehrstuhl für theoretische Hüttenkunde, RWTH, Aachen, Germany
Project:
*Thermodynamic evaluation of high temperature equilibria in the Fe-Ni-Cr alloys with sulfur
and oxygen.
1992-1994
Researcher at Max-Planck-Institute, Stuttgart, Germany
1985-1992
Associate Professor, Physics Institute, Federal University of Rio Grande do
Sul, Porto Alegre, Brazil
1979-1985
Assistant Professor, Physics Institute, Federal University of Rio Grande do
Sul, Porto Alegre, Brazil