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1

Computational Thermodynamics (The Calphad Method) || Introduction

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

Year:

2007

Language:

english

File:

PDF, 814 KB

english, 2007

2

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

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

Year:

2007

Language:

english

File:

PDF, 946 KB

english, 2007

3

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

Year:

2009

Language:

english

File:

PDF, 1.19 MB

english, 2009

4

Computational Thermodynamics (The Calphad Method) || Basis

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

Year:

2007

Language:

english

File:

PDF, 611 KB

english, 2007

5

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

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

Year:

2007

Language:

english

File:

PDF, 698 KB

english, 2007

6

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

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

Year:

2007

Language:

english

File:

PDF, 1.68 MB

english, 2007

7

Computational Thermodynamics (The Calphad Method) || Assessment methodology

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

Year:

2007

Language:

english

File:

PDF, 921 KB

english, 2007

8

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)

Year:

2009

Language:

english

File:

PDF, 485 KB

english, 2009

9

Computational Thermodynamics (The Calphad Method) || Optimization tools

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

Year:

2007

Language:

english

File:

PDF, 462 KB

english, 2007

10

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

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

Year:

2007

Language:

english

File:

PDF, 1019 KB

english, 2007

11

Computational Thermodynamics (The Calphad Method) || Case studies

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

Year:

2007

Language:

english

File:

PDF, 1.13 MB

english, 2007

12

Computational Thermodynamics (The Calphad Method) || Preface

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

Year:

2007

Language:

english

File:

PDF, 519 KB

english, 2007

13

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:

Year:

2000

Language:

english

File:

PDF, 1.26 MB

english, 2000

14

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

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

Year:

2007

File:

PDF, 72 KB

2007

15

Computational Thermodynamics (The Calphad Method) || References

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

Year:

2007

Language:

english

File:

PDF, 124 KB

english, 2007

16

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

Year:

2016

Language:

english

File:

PDF, 1.04 MB

english, 2016

17

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:

Year:

2007

Language:

english

File:

PDF, 1.61 MB

english, 2007

18

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)

Year:

2011

Language:

english

File:

PDF, 511 KB

english, 2011

19

OpenCalphad - a free thermodynamic software

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

Journal:

Integrating Materials and Manufacturing Innovation

Year:

2015

Language:

english

File:

PDF, 599 KB

english, 2015

20

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

Suzana G Fries, Tatjana Jantzen

Journal:

Thermochimica Acta

Year:

1998

Language:

english

File:

PDF, 151 KB

english, 1998

21

phase: Application to Cr-Ni-Re

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

Journal:

Physical Review B

Year:

2011

Language:

english

File:

PDF, 970 KB

english, 2011

22

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:

Year:

2020

File:

PDF, 7.63 MB

2020

23

Thermodynamic optimisation of the Nb-Cr system

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

Journal:

Year:

1993

Language:

english

File:

PDF, 765 KB

english, 1993

24

Thermodynamic modelling of the Ni–Zr system

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

Journal:

Year:

2020

Language:

english

File:

PDF, 1.57 MB

english, 2020

25

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

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

Journal:

Year:

2015

Language:

english

File:

PDF, 128 KB

english, 2015

26

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:

Year:

2007

Language:

english

File:

PDF, 278 KB

english, 2007

27

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

Year:

2018

Language:

english

File:

PDF, 619 KB

english, 2018

28

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

Year:

2014

Language:

english

File:

PDF, 3.03 MB

english, 2014

29

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

Year:

2005

Language:

english

File:

PDF, 166 KB

english, 2005

30

Computational Thermodynamics: Recent developments and future potential and prospects

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

Journal:

physica status solidi (b)

Year:

2014

Language:

english

File:

PDF, 227 KB

english, 2014

31

Constitutional and thermal defects in D019-SnTi3

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

Journal:

Year:

2008

Language:

english

File:

PDF, 548 KB

english, 2008

32

A thermodynamic assessment of the Au-Cu system

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

Journal:

Year:

1998

Language:

english

File:

PDF, 1.08 MB

english, 1998

33

Discussion on the stability of the antimonyzinc binary phases

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

Journal:

Year:

2001

Language:

english

File:

PDF, 832 KB

english, 2001

34

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

Year:

2014

Language:

english

File:

PDF, 1.88 MB

english, 2014

35

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

Year:

2015

Language:

english

File:

PDF, 1.32 MB

english, 2015

36

Incorporation of cluster expansion theory into the Compound Energy Formalism

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

Journal:

Year:

1998

Language:

english

File:

PDF, 203 KB

english, 1998

37

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

Year:

2014

Language:

english

File:

PDF, 2.48 MB

english, 2014

38

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

Year:

2002

Language:

english

File:

PDF, 71 KB

english, 2002

39

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

Year:

1998

Language:

english

File:

PDF, 812 KB

english, 1998

40

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)

Year:

2014

File:

PDF, 208 KB

2014

41

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

Year:

2011

Language:

english

File:

PDF, 1.51 MB

english, 2011

42

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

Year:

2007

Language:

english

File:

PDF, 359 KB

english, 2007

43

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

Year:

2011

Language:

english

File:

PDF, 343 KB

english, 2011

44

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

Year:

2006

Language:

english

File:

PDF, 847 KB

english, 2006

45

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

Year:

2018

Language:

english

File:

PDF, 2.71 MB

english, 2018

46

Structural stability of intermetallic phases in the Sn–Ti system

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

Journal:

Year:

2009

Language:

english

File:

PDF, 2.08 MB

english, 2009

47

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

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

Journal:

Year:

1996

Language:

english

File:

PDF, 636 KB

english, 1996

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