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Computational Thermodynamics (The Calphad Method) || Introduction

Lukas, Hans, Fries, Suzana G., Sundman, Bo

Année:

2007

Langue:

english

Fichier:

PDF, 814 KB

english, 2007

Computational Thermodynamics (The Calphad Method) || Experimental data used for optimization

Lukas, Hans, Fries, Suzana G., Sundman, Bo

Année:

2007

Langue:

english

Fichier:

PDF, 946 KB

english, 2007

An assessment of the entire Al–Fe system including D03 ordering

Bo Sundman, Ikuo Ohnuma, Nathalie Dupin, Ursula R. Kattner, Suzana G. Fries

Journal:

Acta Materialia

Année:

2009

Langue:

english

Fichier:

PDF, 1.19 MB

english, 2009

Models for composition dependence

Ibrahim Ansara, Ben Burton, Qing Chen, Mats Hillert, Armando Fernandez-Guillermet, Suzana G. Fries, Hans Leo Lukas, Hans-Jürgen Seifert, W.Alan Oates

Journal:

Calphad

Année:

2000

Langue:

english

Fichier:

PDF, 1.26 MB

english, 2000

Upgrading CALPHAD to microstructure simulation: the phase-field method

Fries, Suzana G., Boettger, Bernd, Eiken, Janin, Steinbach, Ingo

Journal:

International Journal of Materials Research (formerly Zeitschrift fuer Metallkunde)

Année:

2009

Langue:

english

Fichier:

PDF, 485 KB

english, 2009

The OpenCalphad thermodynamic software interface

Sundman, Bo, Kattner, Ursula R., Sigli, Christophe, Stratmann, Matthias, Le Tellier, Romain, Palumbo, Mauro, Fries, Suzana G.

Journal:

Computational Materials Science

Année:

2016

Langue:

english

Fichier:

PDF, 1.04 MB

english, 2016

Computational Thermodynamics (The Calphad Method) || Assessment methodology

Lukas, Hans, Fries, Suzana G., Sundman, Bo

Année:

2007

Langue:

english

Fichier:

PDF, 921 KB

english, 2007

Computational Thermodynamics (The Calphad Method) || Models for the Gibbs energy

Lukas, Hans, Fries, Suzana G., Sundman, Bo

Année:

2007

Langue:

english

Fichier:

PDF, 1.68 MB

english, 2007

Computational Thermodynamics (The Calphad Method) || Case studies

Lukas, Hans, Fries, Suzana G., Sundman, Bo

Année:

2007

Langue:

english

Fichier:

PDF, 1.13 MB

english, 2007

Computational Thermodynamics (The Calphad Method) || References

Lukas, Hans, Fries, Suzana G., Sundman, Bo

Année:

2007

Langue:

english

Fichier:

PDF, 124 KB

english, 2007

Computational Thermodynamics (The Calphad Method) || Optimization tools

Lukas, Hans, Fries, Suzana G., Sundman, Bo

Année:

2007

Langue:

english

Fichier:

PDF, 462 KB

english, 2007

Computational Thermodynamics (The Calphad Method) || Creating thermodynamic databases

Lukas, Hans, Fries, Suzana G., Sundman, Bo

Année:

2007

Langue:

english

Fichier:

PDF, 1019 KB

english, 2007

Computational Thermodynamics (The Calphad Method) || First principles and thermodynamic properties

Lukas, Hans, Fries, Suzana G., Sundman, Bo

Année:

2007

Langue:

english

Fichier:

PDF, 698 KB

english, 2007

Computational Thermodynamics (The Calphad Method) || Appendix: websites

Lukas, Hans, Fries, Suzana G., Sundman, Bo

Année:

2007

Fichier:

PDF, 72 KB

2007

Computational Thermodynamics (The Calphad Method) || Basis

Lukas, Hans, Fries, Suzana G., Sundman, Bo

Année:

2007

Langue:

english

Fichier:

PDF, 611 KB

english, 2007

Computational Thermodynamics (The Calphad Method) || Preface

Lukas, Hans, Fries, Suzana G., Sundman, Bo

Année:

2007

Langue:

english

Fichier:

PDF, 519 KB

english, 2007

Compilation of `CALPHAD' formation enthalpy data: Binary intermetallic compounds in the COST 507 Gibbsian database

Suzana G Fries, Tatjana Jantzen

Journal:

Thermochimica Acta

Année:

1998

Langue:

english

Fichier:

PDF, 151 KB

english, 1998

Experimental Phase Diagram Investigations in the Ni-Rich Part of Al-Fe-Ni and Comparison with Calculated Phase Equilibria

Igor Chumak, Klaus W. Richter, Suzana G. Fries, Herbert Ipser

Journal:

Journal of Phase Equilibria and Diffusion

Année:

2007

Langue:

english

Fichier:

PDF, 359 KB

english, 2007

Development of multicomponent thermodynamic databases for use in process modelling and simulations

Suzana G. Fries, Bo Sundman

Journal:

Journal of Physics and Chemistry of Solids

Année:

2005

Langue:

english

Fichier:

PDF, 166 KB

english, 2005

The Bragg-Williams-Gorsky (BWG) ordering treatment in the compound energy formalism (CEF)

Suzana G. Fries, Hans Leo Lukas, Ibrahim Ansara, Bo Sundman

Journal:

Berichte der Bunsengesellschaft für physikalische Chemie

Année:

1998

Langue:

english

Fichier:

PDF, 812 KB

english, 1998

Interface between quantum-mechanical-based approaches, experiments, and CALPHAD methodology

Patrice E.A. Turchi, Igor A. Abrikosov, Benjamin Burton, Suzana G. Fries, Göran Grimvall, Larry Kaufman, Pavel Korzhavyi, V. Rao Manga, Munekazu Ohno, Alexander Pisch, Andrew Scott, Wenqing Zhang

Journal:

Calphad

Année:

2007

Langue:

english

Fichier:

PDF, 1.61 MB

english, 2007

Structural stability of intermetallic phases in the Sn–Ti system

Catherine Colinet, Jean-Claude Tedenac, Suzana G. Fries

Journal:

Calphad

Année:

2009

Langue:

english

Fichier:

PDF, 2.08 MB

english, 2009

Experimental determination of phase equilibrium in the Fe–Co–Sb ternary system

Pongsaton Amornpitoksuk, Hongxiao Li, Jean-Claude Tedenac, Suzana G. Fries, Didier Ravot

Journal:

Intermetallics

Année:

2007

Langue:

english

Fichier:

PDF, 278 KB

english, 2007

Constitutional and thermal defects in D019-SnTi3

Catherine Colinet, Jean-Claude Tedenac, Suzana G. Fries

Journal:

Intermetallics

Année:

2008

Langue:

english

Fichier:

PDF, 548 KB

english, 2008

Discussion on the stability of the antimonyzinc binary phases

Véronique Izard, Marie Christine Record, Jean Claude Tedenac, Suzana G. Fries

Journal:

Calphad

Année:

2001

Langue:

english

Fichier:

PDF, 832 KB

english, 2001

Thermodynamic optimization of the Ca-Cu and Sr-Cu systems

Daniel Risold, Bengt Hallstedt, Ludwig J. Gauckler, Hans Leo Lukas, Suzana G. Fries

Journal:

Calphad

Année:

1996

Langue:

english

Fichier:

PDF, 636 KB

english, 1996

A thermodynamic assessment of the Au-Cu system

Bo Sundman, Suzana G. Fries, W.Alan Oates

Journal:

Calphad

Année:

1998

Langue:

english

Fichier:

PDF, 1.08 MB

english, 1998

Incorporation of cluster expansion theory into the Compound Energy Formalism

Bo Sundman, Suzana G. Fries, W.Alan Oates

Journal:

Calphad

Année:

1998

Langue:

english

Fichier:

PDF, 203 KB

english, 1998

phase: Application to Cr-Ni-Re

Palumbo, Mauro, Abe, Taichi, Fries, Suzana G., Pasturel, Alain

Journal:

Physical Review B

Année:

2011

Langue:

english

Fichier:

PDF, 970 KB

english, 2011

Thermodynamic optimisation of the Nb-Cr system

Costa Neto, Joaquim G., Fries, Suzana G., Lukas, Hans Leo, Gama, SÃ©rgio, Effenberg, GÃ¼nter

Journal:

Calphad

Année:

1993

Langue:

english

Fichier:

PDF, 765 KB

english, 1993

First-principles-based phase diagrams and thermodynamic properties of TCP phases in Re–X systems (X=Ta, V, W)

Palumbo, Mauro, Fries, Suzana G., Hammerschmidt, Thomas, Abe, Taichi, Crivello, Jean-Claude, Breidi, Abed Al Hasan, Joubert, Jean-Marc, Drautz, Ralf

Journal:

Computational Materials Science

Année:

2014

Langue:

english

Fichier:

PDF, 1.88 MB

english, 2014

Computational thermodynamics: Recent developments and future potential and prospects (Phys. Status Solidi B 1/2014)

Hickel, Tilmann, Kattner, Ursula R., Fries, Suzana G.

Journal:

physica status solidi (b)

Année:

2014

Fichier:

PDF, 208 KB

2014

Reliability evaluation of thermophysical properties from first-principles calculations

Palumbo, Mauro, Fries, Suzana G, Corso, Andrea Dal, Kürmann, Fritz, Hickel, Tilmann, Neugebauer, Jürg

Journal:

Journal of Physics Condensed Matter

Année:

2014

Langue:

english

Fichier:

PDF, 2.48 MB

english, 2014

Using Re-W σ-phase first-principles results in the Bragg-Williams approximation to calculate finite-temperature thermodynamic properties

Fries, Suzana G., Sundman, Bo

Journal:

Physical Review B

Année:

2002

Langue:

english

Fichier:

PDF, 71 KB

english, 2002

Anharmonicity, mechanical instability, and thermodynamic properties of the Cr-Re σ-phase

Palumbo, Mauro, Fries, Suzana G., Pasturel, Alain, Alfè, Dario

Journal:

The Journal of Chemical Physics

Année:

2014

Langue:

english

Fichier:

PDF, 3.03 MB

english, 2014

OpenCalphad - a free thermodynamic software

Sundman, Bo, Kattner, Ursula R, Palumbo, Mauro, Fries, Suzana G

Journal:

Integrating Materials and Manufacturing Innovation

Année:

2015

Langue:

english

Fichier:

PDF, 599 KB

english, 2015

Precipitation Kinetics Study of Al – Zr – X(Sc or Ti) Alloys by Phase Field Simulations and Atom Probe Tomography

Masquelier, Nicolas, Zapolsky, Helena, Lefebvre, Williams, Fries, Suzana Gomes, Patte, Renaud, Pareige, Philippe

Journal:

Solid State Phenomena

Année:

2011

Langue:

english

Fichier:

PDF, 343 KB

english, 2011

Intermediate Co/Ni-base model superalloys — Thermophysical properties, creep and oxidation

Zenk, Christopher H., Neumeier, Steffen, Engl, Nicole M., Fries, Suzana G., Dolotko, Oleksandr, Weiser, Martin, Virtanen, Sannakaisa, Göken, Mathias

Journal:

Scripta Materialia

Année:

2015

Langue:

english

Fichier:

PDF, 1.32 MB

english, 2015

Enthalpies of formation measurements and thermodynamic description of the Ag–Cu–Zn system

Witusiewicz, Victor T., Fries, Suzana G., Hecht, Ulrike, Drevermann, Anne, Rex, Stephan

Journal:

Zeitschrift für Metallkunde

Année:

2006

Langue:

english

Fichier:

PDF, 847 KB

english, 2006

[P79] New features implemented in the Open Calphad software project

Sundman, Bo, Palumbo, Mauro, Kattner, Ursula R, Fries, Suzana G

Journal:

Calphad

Année:

2015

Langue:

english

Fichier:

PDF, 128 KB

english, 2015

Computational Thermodynamics: Recent developments and future potential and prospects

Hickel, Tilmann, Kattner, Ursula R., Fries, Suzana G.

Journal:

physica status solidi (b)

Année:

2014

Langue:

english

Fichier:

PDF, 227 KB

english, 2014

Thermodynamic modelling of the Ag–Cu–Ti ternary system

Dezellus, Olivier, Arroyave, Raymundo, Fries, Suzana G.

Journal:

International Journal of Materials Research (formerly Zeitschrift fuer Metallkunde)

Année:

2011

Langue:

english

Fichier:

PDF, 511 KB

english, 2011

Simulation of the External Pressure Influence on the Micro-Structural Evolution of a Single Crystal Ni-Based Superalloy

Lopez-Galilea, Inmaculada, Huth, Stephan, Fries, Suzana Gomes, Steinbach, Ingo, Theisen, Werner

Journal:

Advanced Materials Research

Année:

2011

Langue:

english

Fichier:

PDF, 1.51 MB

english, 2011

Nucleation driving force for ω-assisted formation of α and associated ω morphology in β-Ti alloys

Li, Tong, Kent, Damon, Sha, Gang, Liu, Hongwei, Fries, Suzana G., Ceguerra, Anna V., Dargusch, Matthew S., Cairney, Julie M.

Journal:

Scripta Materialia

Année:

2018

Langue:

english

Fichier:

PDF, 2.71 MB

english, 2018

Implementation of an Effective Bond Energy Formalism in the Multicomponent Calphad Approach

Dupin, Nathalie, Kattner, Ursula R., Sundman, Bo, Palumbo, Mauro, Fries, Suzana G.

Journal:

Journal of Research of the National Institute of Standards and Technology

Année:

2018

Langue:

english

Fichier:

PDF, 619 KB

english, 2018

Thermodynamic modelling of the Ni–Zr system

Jana, Asmita, Sridar, Soumya, Fries, Suzana G., Hammerschmidt, Thomas, Kumar, K.C. Hari

Journal:

Intermetallics

Année:

2020

Langue:

english

Fichier:

PDF, 1.57 MB

english, 2020

DFT-CEF Approach for the Thermodynamic Properties and Volume of Stable and Metastable AlâNi Compounds

Tumminello, Silvana, Palumbo, Mauro, KoÃmann, JÃ¶rg, Hammerschmidt, Thomas, Alonso, Paula R., Sommadossi, Silvana, Fries, Suzana G.

Journal:

Metals

Année:

2020

Fichier:

PDF, 7.63 MB

2020