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1

An insight into using DFT data for Calphad modeling of solid phases in the third generation of Calphad databases, a case study for Al

Bigdeli, Sedigheh, Zhu, Li-Fang, Glensk, Albert, Grabowski, Blazej, Lindahl, Bonnie, Hickel, Tilmann, Selleby, Malin

Journal:

Year:

2019

Language:

english

File:

PDF, 850 KB

english, 2019

2

Thermodynamic assessment of the MgO–Al2O3–SiO2 system

Mao, Huahai, Fabrichnaya, Olga, Selleby, Malin, Sundman, Bo

Journal:

Journal of Materials Research

Year:

2005

Language:

english

File:

PDF, 395 KB

english, 2005

3

Investigation of Spinodal Decomposition in Fe-Cr Alloys: CALPHAD Modeling and Phase Field Simulation

Xiong, Wei, Grönhagen, Klara Asp, Ågren, John, Selleby, Malin, Odqvist, Joakim, Chen, Qing

Journal:

Solid State Phenomena

Year:

2011

Language:

english

File:

PDF, 486 KB

english, 2011

4

Thermodynamic investigations of the C-Cr-Fe system by galvanic cell technique

L. D. Teng, R. E. Aune, M. Selleby, S. Seetharaman

Journal:

Metallurgical and Materials Transactions B

Year:

2005

Language:

english

File:

PDF, 2.16 MB

english, 2005

5

An assessment of the Fe-O-Si system

Journal:

Metallurgical and Materials Transactions B

Year:

1997

Language:

english

File:

PDF, 216 KB

english, 1997

6

Oxygen Activity Calculations of Molten Steel: Comparison With Measured Results

Kamrooz Riyahimalayeri, Patrik Ölund, Malin Selleby

Journal:

steel research international

Year:

2012

Language:

english

File:

PDF, 635 KB

english, 2012

7

Assessments of molar volume and thermal expansion for selected bcc, fcc and hcp metallic elements

Xiao-Gang Lu, Malin Selleby, Bo Sundman

Journal:

Year:

2005

Language:

english

File:

PDF, 2.35 MB

english, 2005

8

Thermodynamic modelling of the Cr–Fe–Ni–O system

Lina Kjellqvist, Malin Selleby, Bo Sundman

Journal:

Year:

2008

Language:

english

File:

PDF, 4.42 MB

english, 2008

9

Phase Equilibria and Thermodynamic Properties in the Fe-Cr System

Xiong, Wei, Selleby, Malin, Chen, Qing, Odqvist, Joakim, Du, Yong

Journal:

Critical Reviews in Solid State and Material Sciences

Year:

2010

Language:

english

File:

PDF, 5.49 MB

english, 2010

10

New description of metastable hcp phase for unaries Fe and Mn: Coupling between first-principles calculations and CALPHAD modeling

Bigdeli, Sedigheh, Ehtehsami, Hossein, Chen, Qing, Mao, Huahai, Korzhavy, Pavel, Selleby, Malin

Journal:

physica status solidi (b)

Year:

2016

Language:

english

File:

PDF, 980 KB

english, 2016

11

Thermodynamic modelling of liquids: CALPHAD approaches and contributions from statistical physics

Becker, Chandler A., Ågren, John, Baricco, Marcello, Chen, Qing, Decterov, Sergei A., Kattner, Ursula R., Perepezko, John H., Pottlacher, Gernot R., Selleby, Malin

Journal:

physica status solidi (b)

Year:

2014

Language:

english

File:

PDF, 1.59 MB

english, 2014

12

Thermodynamic assessment of the Al-C-Fe system

Zheng, Weisen, He, Shuang, Selleby, Malin, He, Yanlin, Li, Lin, Lu, Xiao-Gang, Ågren, John

Journal:

Year:

2017

Language:

english

File:

PDF, 2.40 MB

english, 2017

13

An assessment of the Ca-Fe-O-Si system

Journal:

Metallurgical and Materials Transactions B

Year:

1997

Language:

english

File:

PDF, 323 KB

english, 1997

14

Thermodynamic Assessment of the Fe-Mn-O System

Lina Kjellqvist, Malin Selleby

Journal:

Journal of Phase Equilibria and Diffusion

Year:

2010

Language:

english

File:

PDF, 926 KB

english, 2010

15

A thermodynamic database for special brass

Ulrika Borggren, Malin Selleby

Journal:

Journal of Phase Equilibria

Year:

2003

Language:

english

File:

PDF, 730 KB

english, 2003

16

Thermodynamic reassessment of the Y 2O3–Al2O3–SiO2 system and its subsystems

Huahai Mao, Malin Selleby, Olga Fabrichnaya

Journal:

Year:

2008

Language:

english

File:

PDF, 1.72 MB

english, 2008

17

Adding C to the thermodynamic description of the Cr–Fe–Ni–O system

Lina Kjellqvist, Malin Selleby

Journal:

Year:

2009

Language:

english

File:

PDF, 1.80 MB

english, 2009

18

An improved thermodynamic modeling of the Fe–Cr system down to zero kelvin coupled with key experiments

Wei Xiong, Peter Hedström, Malin Selleby, Joakim Odqvist, Mattias Thuvander, Qing Chen

Journal:

Year:

2011

Language:

english

File:

PDF, 2.61 MB

english, 2011

19

An improved magnetic model for thermodynamic modeling

Xiong, Wei, Chen, Qing, Korzhavyi, Pavel A., Selleby, Malin

Journal:

Year:

2012

Language:

english

File:

PDF, 705 KB

english, 2012

20

A Critical Assessment of Tnermodynamic and Phase Diagram Data for the Al-O System

R Taylor, J, T Dinsdale, A, Hilleit, M, Selleby, M

Journal:

Year:

1992

Language:

english

File:

PDF, 446 KB

english, 1992

21

Evaluation of austenite reformation in duplex stainless steel weld metal using computational thermodynamics

Wessman, Sten, Selleby, Malin

Journal:

Welding in the World

Year:

2014

Language:

english

File:

PDF, 561 KB

english, 2014

22

Thermodynamics of stable and metastable structures in Fe–C system

Naraghi, Reza, Selleby, Malin, Ågren, John

Journal:

Year:

2014

Language:

english

File:

PDF, 2.30 MB

english, 2014

23

Thermodynamic calculations and experimental verification in the WC–Co–Cr cemented carbide system

Kaplan, Bartek, Norgren, Susanne, Schwind, Martin, Selleby, Malin

Journal:

International Journal of Refractory Metals and Hard Materials

Year:

2015

Language:

english

File:

PDF, 1.41 MB

english, 2015

24

Low-Density Steels: Complex Metallurgy for Automotive Applications

Zuazo, I., Hallstedt, B., Lindahl, B., Selleby, M., Soler, M., Etienne, A., Perlade, A., Hasenpouth, D., Massardier-Jourdan, V., Cazottes, S., Kleber, X.

Journal:

JOM Journal of the Minerals, Metals and Materials Society

Year:

2014

Language:

english

File:

PDF, 1.91 MB

english, 2014

25

Thermodynamic analysis of the W–Co–Cr system supported by ab initio calculations and verified with quaternary data

Kaplan, Bartek, Blomqvist, Andreas, Selleby, Malin, Norgren, Susanne

Journal:

Year:

2015

Language:

english

File:

PDF, 852 KB

english, 2015

26

Comparison between measured CaO and Al 2 O 3 normalised to CaO–Al 2 O 3 in top slag, calcium aluminate inclusions and results of theoretical calculations

Riyahimalayeri, K, Ölund, P, Selleby, M

Journal:

Iron and Steelmaking

Year:

2013

Language:

english

File:

PDF, 580 KB

english, 2013

27

A thermodynamic re-assessment of Al–V toward an assessment of the ternary Al–Ti–V system

Lindahl, Bonnie, Liu, Xuan L., Liu, Zi-Kui, Selleby, Malin

Journal:

Year:

2015

Language:

english

File:

PDF, 1.49 MB

english, 2015

28

[P63] On the 3rd generation Calphad databases: updated description of Mn and reassessment of binary Fe-Mn

Bigdeli, Sedigheh, Mao, Huahai, Selleby, Malin

Journal:

Year:

2015

Language:

english

File:

PDF, 53 KB

english, 2015

29

[P24] A thermodynamic assessment of the Al-Ti-V system

Lindahl, Bonnie, Selleby, Malin

Journal:

Year:

2015

Language:

english

File:

PDF, 203 KB

english, 2015

30

PrecHiMn-4—A thermodynamic database for high-Mn steels

Hallstedt, Bengt, Khvan, Alexandra V., Lindahl, Bonnie B., Selleby, Malin, Liu, Shuhong

Journal:

Year:

2017

Language:

english

File:

PDF, 1.55 MB

english, 2017

31

Thermodynamic description of the Fe-Ca-O-S system

Dilner, David, Selleby, Malin

Journal:

Year:

2017

Language:

english

File:

PDF, 1.63 MB

english, 2017

32

A New Description of Pure C in Developing the Third Generation of Calphad Databases

Bigdeli, Sedigheh, Chen, Qing, Selleby, Malin

Journal:

Journal of Phase Equilibria and Diffusion

Year:

2018

Language:

english

File:

PDF, 786 KB

english, 2018

33

A thermodynamic assessment of the binary Fe-Mn system for the third generation of Calphad databases

Bigdeli, Sedigheh, Selleby, Malin

Journal:

Year:

2019

Language:

english

File:

PDF, 1.70 MB

english, 2019

34

Experimental study of carbides in the Ti–Cr–C system

Haglöf, F., Kaplan, B., Norgren, S., Blomqvist, A., Selleby, M.

Journal:

Journal of Materials Science

Year:

2019

Language:

english

File:

PDF, 1.81 MB

english, 2019

35

Calphad Modeling of LRO and SRO Using ab initio Data

Enoki, Masanori, Sundman, Bo, Sluiter, Marcel H. F., Selleby, Malin, Ohtani, Hiroshi

Journal:

Year:

2020

File:

PDF, 1.91 MB

2020

36

Theoretical modeling of molar volume and thermal expansion

Xiao-Gang Lu, Malin Selleby, Bo Sundman

Journal:

Acta Materialia

Year:

2005

Language:

english

File:

PDF, 341 KB

english, 2005

37

Calculations of thermophysical properties of cubic carbides and nitrides using the Debye–Grüneisen model

Xiao-Gang Lu, Malin Selleby, Bo Sundman

Journal:

Acta Materialia

Year:

2007

Language:

english

File:

PDF, 672 KB

english, 2007

38

Microstructure and mechanical properties of spray formed ultrahigh-carbon steels

Jing Guo Zhang, Yi Jian Lin, Mats Hillert, Malin Selleby, Hai Sheng Shi, Biao Yan, Hao Zhang, Guang Min Luo, Xiao Jun Li, Jun Wang

Journal:

Materials Science and Engineering: A

Year:

2004

Language:

english

File:

PDF, 227 KB

english, 2004

39

Trapping of vacancies by rapid solidification

Mats Hillert, Martin Schwind, Malin Selleby

Journal:

Acta Materialia

Year:

2002

Language:

english

File:

PDF, 132 KB

english, 2002

40

An attempt to correct the quasichemical model

Mats Hillert, Malin Selleby, Bo Sundman

Journal:

Acta Materialia

Year:

2009

Language:

english

File:

PDF, 385 KB

english, 2009

41

Magnetic phase diagram of the Fe–Ni system

W. Xiong, H. Zhang, L. Vitos, M. Selleby

Journal:

Acta Materialia

Year:

2011

Language:

english

File:

PDF, 1.05 MB

english, 2011

42

Phase Equilibria and Thermodynamics in the Al2O3–SiO2 System—Modeling of Mullite and Liquid

Huahai Mao, Malin Selleby, Bo Sundman

Journal:

Journal of the American Ceramic Society

Year:

2005

Language:

english

File:

PDF, 228 KB

english, 2005

43

Thermodynamic Assessment of the CaO–Al2O3–SiO2 System

Huahai Mao, Mats Hillert, Malin Selleby, Bo Sundman

Journal:

Journal of the American Ceramic Society

Year:

2006

Language:

english

File:

PDF, 326 KB

english, 2006

44

The sharpness of melting maxima

M. Selleby, M. Hillert

Journal:

Journal of Phase Equilibria

Year:

1999

Language:

english

File:

PDF, 107 KB

english, 1999

45

ChemInform Abstract: An Improved Thermodynamic Modeling of the Fe—Cr System Down to Zero Kelvin Coupled with Key Experiments

Wei Xiong, Peter Hedstroem, Malin Selleby, Joakim Odqvist, Mattias Thuvander, Qing Chen

Journal:

Year:

2012

File:

PDF, 18 KB

2012

46

An assessment of the Ca-Fe-O system

Mats Hillert, Malin Selleby, Bo Sundman

Journal:

Metallurgical and Materials Transactions A

Year:

1990

Language:

english

File:

PDF, 1.29 MB

english, 1990

47

Discussion of cementite layer formation and sooting

M. Hillert, M. Selleby

Journal:

Scripta Materialia

Year:

2010

Language:

english

File:

PDF, 246 KB

english, 2010

48

A re-evaluation of the liquid phases in the CaO–Al2O3 and MgO–Al2O3 systems

Huahai Mao, Malin Selleby, Bo Sundman

Journal:

Year:

2004

Language:

english

File:

PDF, 329 KB

english, 2004

49

Implementation of a new model for pressure dependence of condensed phases in Thermo-Calc

Xiao-Gang Lu, Malin Selleby, Bo Sundman

Journal:

Year:

2005

Language:

english

File:

PDF, 844 KB

english, 2005

50

Thermodynamic reassessment of the Si3N4–AlN–Al2O3–SiO2 system—Modeling of the SiAlON and liquid phases

Huahai Mao, Malin Selleby

Journal:

Year:

2007

Language:

english

File:

PDF, 1.63 MB

english, 2007