Publications by Malin Selleby

Peer reviewed

Articles

[1]

L. Hultman et al., "Advanced materials provide solutions towards a sustainable world," Nature Materials, vol. 23, no. 2, pp. 160-161, 2024.

[2]

J.-M. Joubert, B. Kaplan and M. Selleby, "The specific heat of Al-based compounds, evaluation of the Neumann-Kopp rule and proposal for a modified Neumann-Kopp rule," Calphad, vol. 81, 2023.

[3]

Z. He and M. Selleby, "A third generation Calphad description of W-C including a revision of liquid C," Calphad, vol. 78, pp. 102449, 2022.

[4]

Z. He and M. Selleby, "A third generation Calphad description of pure W," Materials Chemistry and Physics, vol. 276, pp. 125445, 2022.

[5]

O. Smuk, M. Selleby and B. Bergman, "The effect of copper on secondary phase precipitation in duplex stainless steel - a thermodynamic calculations approach," International Journal of Materials Research - Zeitschrift für Metallkunde, vol. 96, no. 8, pp. 918-923, 2022.

[6]

F. Haglöf, A. Blomqvist and M. Selleby, "Thermodynamic assessment of the C-Cr-Ti system-Supported by DFT calculations," Calphad, vol. 77, pp. 102405, 2022.

[7]

F. Haglöf et al., "CALPHAD : Method for calculation of finite temperature thermodynamic properties for magnetic allotropes-Case study on Fe, Co and Ni," Calphad, vol. 74, 2021.

[8]

A. Dahlström et al., "Precision Thermal Treatments, Atom Probe Characterization, and Modeling to Describe the Fe-Cr Metastable Miscibility Gap," Metallurgical and Materials Transactions. A, vol. 52, no. 4, pp. 1453-1464, 2021.

[9]

Z. He et al., "The third generation Calphad description of Al-C including revisions of pure Al and C," Calphad, vol. 72, 2021.

[10]

W. Huang and M. Selleby, "Thermodynamic Assessment of the Nb-W-C System," International Journal of Materials Research - Zeitschrift für Metallkunde, vol. 88, no. 1, pp. 55-62, 2021.

[11]

B. Sundman et al., "A method for handling the extrapolation of solid crystalline phases to temperatures far above their melting point," Calphad, vol. 68, 2020.

[12]

M. Enoki et al., "Calphad Modeling of LRO and SRO Usingab initioData," Metals, vol. 10, no. 8, 2020.

[13]

S. Bigdeli and M. Selleby, "A thermodynamic assessment of the binary Fe-Mn system for the third generation of Calphad databases," Calphad, vol. 64, pp. 185-195, 2019.

[14]

S. Bigdeli et al., "An insight into using DFT data for Calphad modeling of solid phases in the third generation of Calphad databases, a case study for Al," Calphad, vol. 65, pp. 79-85, 2019.

[15]

F. Haglöf et al., "Experimental study of carbides in the Ti-Cr-C system," Journal of Materials Science, vol. 54, no. 19, pp. 12358-12370, 2019.

[16]

C. Arvhult et al., "Thermodynamic assessment of the Fe–Ni–Te system," Calphad, vol. 67, 2019.

[17]

C. Arvhult et al., "Thermodynamic assessment of the Ni-Te system," Journal of Materials Science, vol. 54, no. 16, pp. 11304-11319, 2019.

[18]

A. H. Delandar et al., "Ab-initio based search for late blooming phase compositions in iron alloys," Journal of Nuclear Materials, vol. 509, pp. 225-236, 2018.

[19]

A. H. Delandar et al., "End-member compounds of a 4-sublattice model of multicomponent BCC solid solutions," Data in Brief, vol. 20, pp. 1018-1022, 2018.

[20]

D. Dilner et al., "Improving Steel and Steelmaking—an Ionic Liquid Database for Alloy Process Design," Integrating Materials and Manufacturing Innovation, vol. 7, pp. 195-201, 2018.

[21]

R. Zhang et al., "Prediction of Martensite Start Temperature for Lightweight Fe-Mn-Al-C Steels," JOURNAL OF PHASE EQUILIBRIA AND DIFFUSION, vol. 39, no. 5, pp. 476-489, 2018.

[22]

Z. Li, H. Mao and M. Selleby, "Thermodynamic Modeling of Pure Co Accounting Two Magnetic States for the Fcc Phase," JOURNAL OF PHASE EQUILIBRIA AND DIFFUSION, vol. 39, no. 5, pp. 502-509, 2018.

[23]

C.-M. Arvhult et al., "Thermodynamic assessment of the Fe-Te system. Part II : Thermodynamic modeling," Journal of Alloys and Compounds, vol. 767, pp. 883-893, 2018.

[24]

W. Zheng et al., "Thermodynamic investigation of the Al-Fe-Mn system over the whole composition and wide temperature ranges," Journal of Alloys and Compounds, vol. 742, pp. 1046-1057, 2018.

[25]

W. Zheng et al., "Thermodynamic modeling of the Al-C-Mn system supported by ab initio calculations," Calphad, pp. 222-230, 2018.

[26]

Z. Li, H. Mao and M. Selleby, "A new thermodynamic description of stable Cr-carbides for the third generation of thermodynamic database," Calphad, vol. 59, pp. 107-111, 2017.

[27]

Y. Yang, H. Mao and M. Selleby, "An assessment of the Ca-V-O system," Calphad, pp. 29-40, 2017.

[28]

Y. Yang, H. Mao and M. Selleby, "An assessment of the Ti-V-O system," Journal of Alloys and Compounds, vol. 722, pp. 365-374, 2017.

[29]

B. Hallstedt et al., "PrecHiMn-4—A thermodynamic database for high-Mn steels," Calphad, vol. 56, pp. 49-57, 2017.

[30]

M. Ghasemi, M. Selleby and J. Johansson, "Thermodynamic assessment and binary nucleation modeling of Sn-seeded InGaAs nanowires," Journal of Crystal Growth, vol. 478, pp. 152-158, 2017.

[31]

W. Zheng et al., "Thermodynamic assessment of the Al-C-Fe system," Calphad, vol. 58, pp. 34-49, 2017.

[32]

D. Dilner and M. Selleby, "Thermodynamic description of the Fe-Ca-O-S system," Calphad, vol. 57, pp. 118-125, 2017.

[33]

M. Hillert and M. Selleby, "Methods for storage of Gibbs energy data of substances," Calphad, vol. 53, pp. 146-150, 2016.

[34]

S. Bigdeli et al., "New description of metastable hcp phase for unaries Fe and Mn: Coupling between first-principles calculations and CALPHAD modeling," Physica Status Solidi B, no. 9, pp. 1830-1836, 2016.

[35]

C. Allertz, M. Selleby and D. Sichen, "The Effect of Oxygen Potential on the Sulfide Capacity for Slags Containing Multivalent Species," Metallurgical and materials transactions. B, process metallurgy and materials processing science, vol. 47, no. 5, pp. 3039-3045, 2016.

[36]

D. Dilner, L. Kjellqvist and M. Selleby, "Thermodynamic Assessment of the Fe-Ca-S, Fe-Mg-O and Fe-Mg-S Systems," Journal of Phase Equilibria and Diffusion, pp. 1-16, 2016.

[37]

Z. Li et al., "Thermodynamic evaluation of pure Co for the third generation of thermodynamic databases," Physica status solidi. B, Basic research, 2016.

[38]

Z. Li et al., "Thermodynamic re-assessment of the Co-Cr system supported by first-principles calculations," Calphad, vol. 52, pp. 1-7, 2016.

[39]

B. Brusewitz Lindahl et al., "A thermodynamic re-assessment of Al-V toward an assessment of the ternary Al-Ti-V system," Calphad, vol. 51, pp. 75-88, 2015.

[40]

S. Bigdeli, H. Mao and M. Selleby, "On the third-generation Calphad databases : An updated description of Mn," Physica status solidi. B, Basic research, vol. 252, no. 10, pp. 2199-2208, 2015.

[41]

B. B. Lindahl, B. P. Burton and M. Selleby, "Ordering in ternary BCC alloys applied to the Al-Fe-Mn system," Calphad, vol. 51, pp. 211-219, 2015.

[42]

B. Kaplan et al., "Thermodynamic analysis of the W-Co-Cr system supported by ab initio calculations and verified with quaternary data," Calphad, vol. 50, pp. 59-67, 2015.

[43]

D. Dilner, H. Mao and M. Selleby, "Thermodynamic assessment of the Mn-S and Fe-Mn-S systems," Calphad, vol. 48, pp. 95-105, 2015.

[44]

Y. Yang, H. Mao and M. Selleby, "Thermodynamic assessment of the V-O system," Calphad, vol. 51, pp. 144-160, 2015.

[45]

B. Kaplan et al., "Thermodynamic calculations and experimental verification in the WC-Co-Cr cemented carbide system," International journal of refractory metals & hard materials, vol. 48, pp. 257-262, 2015.

[46]

B. Kaplan et al., "Thermodynamic calculations and experimental verification in the WC-Co-Cr cemented carbide system (Reprint of Int. Journal of Refractory Metals and Hard Materials vol 48, pg 257-262, 2015)," International journal of refractory metals & hard materials, vol. 49, pp. 400-405, 2015.

[47]

S. Wessman and M. Selleby, "Evaluation of Austenite Reformation in Duplex Stainless Steel Weld Metal using Computational Thermodynamics," Welding in the World, vol. 58, no. 2, pp. 217-224, 2014.

[48]

B. Kaplan et al., "Experimental Determination of the Solubility of Co in the Cr-Based Carbides Cr23C6, Cr7C3, and Cr3C2," Metallurgical and Materials Transactions. A, vol. 45, no. 11, pp. 4820-4828, 2014.

[49]

I. Zuazo et al., "Low-Density Steels : Complex Metallurgy for Automotive Applications," JOM : The Member Journal of TMS, vol. 66, no. 9, pp. 1747-1758, 2014.

[50]

D. Dilner et al., "Process-time Optimization of Vacuum Degassing Using a Genetic Alloy Design Approach," Materials, vol. 7, no. 12, pp. 7997-8011, 2014.

[51]

B. Kaplan et al., "Thermodynamic analysis of the Co-Cr-C system," Calphad, vol. 46, pp. 226-236, 2014.

[52]

C. A. Becker et al., "Thermodynamic modelling of liquids : CALPHAD approaches and contributions from statistical physics," Physica status solidi. B, Basic research, vol. 251, no. 1, pp. 33-52, 2014.

[53]

R. Naraghi, M. Selleby and J. Ågren, "Thermodynamics of stable and metastable structures in Fe-C system," Calphad, vol. 46, pp. 148-158, 2014.

[54]

K. Riyahimalayeri, P. Ölund and M. Selleby, "Comparison between measured CaO and Al₂O₃ normalised to CaO-Al₂O₃ in top slag, calcium aluminate inclusions, and results of theoretical calculations ," Ironmaking & steelmaking, vol. 40, no. 5, pp. 369-375, 2013.

[55]

K. Riyahimalayeri, P. Ölund and M. Selleby, "Effect of vacuum degassing on non-metallic inclusions in an ASEA-SKF ladle furnace," Ironmaking & steelmaking, vol. 40, no. 6, pp. 470-477, 2013.

[56]

K. Riyahimalayeri, P. Ölund and M. Selleby, "Oxygen activity calculations of molten steel: comparison with measured results," Steel Research International, vol. 84, no. 2, pp. 136-145, 2013.

[57]

B. Brusewitz Lindahl and M. Selleby, "The Al-Fe-Mn system revisited-An updated thermodynamic description using the most recent binaries," Calphad, vol. 43, pp. 86-93, 2013.

[58]

W. Xiong et al., "An improved magnetic model for thermodynamic modeling," Calphad, vol. 39, pp. 11-20, 2012.

[59]

S. Mostafaee et al., "Computational thermodynamics as a tool to study the microstructural evolution of EAF duplex stainless steelmaking slags," Ironmaking & steelmaking, vol. 39, no. 1, pp. 51-58, 2012.

[60]

W. Xiong et al., "An improved thermodynamic modeling of the Fe-Cr system down to zero kelvin coupled with key experiments," Calphad, vol. 35, no. 3, pp. 355-366, 2011.

[61]

W. Xiong et al., "Investigation of Spinodal Decomposition in Fe-Cr Alloys : CALPHAD Modeling and Phase Field Simulation," Solid State Phenomena, vol. 172-174, pp. 1060-1065, 2011.

[62]

W. Xiong et al., "Magnetic phase diagram of the Fe-Ni system," Acta Materialia, vol. 59, no. 2, pp. 521-530, 2011.

[63]

M. Selleby, M. Hillert and J. Ågren, "Use of chemical potential of a compound in potential phase diagrams," Calphad, vol. 35, no. 3, pp. 342-345, 2011.

[64]

M. Hillert and M. Selleby, "Discussion of cementite layer formation and sooting," Scripta Materialia, vol. 63, no. 11, pp. 1037-1040, 2010.

[65]

W. Xiong et al., "Phase Equilibria and Thermodynamic Properties in the Fe-Cr System," Critical reviews in solid state and materials sciences, vol. 35, no. 2, pp. 125-152, 2010.

[66]

L. Kjellqvist and M. Selleby, "Thermodynamic assessment of the Cr-Mn-O system," Journal of Alloys and Compounds, vol. 507, no. 1, pp. 84-92, 2010.

[67]

L. Kjellqvist and M. Selleby, "Thermodynamic assessment of the Fe-Mn-O system," Journal of Phase Equilibria and Diffusion, vol. 31, no. 2, pp. 113-134, 2010.

[68]

L. Kjellqvist and M. Selleby, "Thermodynamic assessment of the Mn-Ni-O system," International Journal for Materials Research Zeitschrift für Metallkunde, vol. 101, no. 10, pp. 1222-1231, 2010.

[69]

L. Kjellqvist and M. Selleby, "Adding C to the thermodynamic description of the Cr-Fe-Ni-O system," Calphad, vol. 33, no. 2, pp. 393-397, 2009.

[70]

M. Hillert, M. Selleby and B. Sundman, "An attempt to correct the quasichemical model," Acta Materialia, vol. 57, no. 17, pp. 5237-5244, 2009.

[71]

M. Hillert et al., "Parameters in the compound energy formalism for ionic systems," Calphad, vol. 33, no. 1, pp. 227-232, 2009.

[72]

W. Xiong et al., "Thermodynamic investigation of the galvanizing systems, I : Refinement of the thermodynamic description for the Fe-Zn system," Calphad, vol. 33, no. 2, pp. 433-440, 2009.

[73]

H. Mao, M. Selleby and O. Fabrichnaya, "Thermodynamic assessment of the Y2O3-Al2O3-SiO2 system and its subsystems," Calphad, vol. 32, no. 2, pp. 399-412, 2008.

[74]

L. Kjellqvist, M. Selleby and B. Sundman, "Thermodynamic modelling of the Cr-Fe-Ni-O system," Calphad, vol. 32, no. 3, pp. 577-592, 2008.

[75]

X.-G. Lu, M. Selleby and B. Sundman, "Calculations of thermophysical properties of cubic carbides and nitrides using Debye-Grüneisen model," Acta Materialia, vol. 55, no. 4, pp. 1215-1226, 2007.

[76]

H. Mao and M. Selleby, "Thermodynamic reassessment of the Si3N4-AlN-Al2O3-SiO2 system - Modeling of the SWON and liquid phases," Calphad, vol. 31, no. 2, pp. 269-280, 2007.

[77]

H. Mao et al., "Thermodynamic assessment of the CaO-Al2O3-SiO2 system," Journal of The American Ceramic Society, vol. 89, no. 1, pp. 298-308, 2006.

[78]

X. Lu, M. Selleby and B. Sundman, "Assessments of molar volume and thermal expansion for selected bcc, fcc and hcp metallic elements," Calphad, vol. 29, no. 1, pp. 68-89, 2005.

[79]

X. Lu, M. Selleby and B. Sundman, "Implementation of a new model for pressure dependence of condensed phases in Thermo-Calc," Calphad, vol. 29, no. 1, pp. 49-55, 2005.

[80]

H. Mao, M. Selleby and B. Sundman, "Phase equilibria and thermodynamics in the Al(2)O(3)-SiO(2) system : Modeling of mullite and liquid," Journal of The American Ceramic Society, vol. 88, no. 9, pp. 2544-2551, 2005.

[81]

O. Smuk, M. Selleby and B. Bergman, "The effect of copper on secondary phase precipitation in duplex stainless steel - a thermodynamic calculations approach," Zeitschrift für Metallkunde, vol. 96, no. 8, pp. 918-923, 2005.

[82]

X.-G. Lu, M. Selleby and B. Sundman, "Theoretical modeling of molar volume and thermal expansion," Acta Materialia, vol. 53, no. 8, pp. 2259-2272, 2005.

[83]

H. Mao et al., "Thermodynamic assessment of the MgO-AL(2)O(3)-SiO2 system," Journal of Materials Research, vol. 20, no. 4, pp. 975-986, 2005.

[84]

L. Teng et al., "Thermodynamic investigations of the C-Cr-Fe system by galvanic cell technique," Metallurgical and materials transactions. B, process metallurgy and materials processing science, vol. 36, no. 2, pp. 263-270, 2005.

[85]

H. Mao, M. Selleby and B. Sundman, "A re-evaluation of the liquid phases in the CaO-Al2O3 and MgO-Al2O3 systems," Calphad, vol. 28, no. 3, pp. 307-312, 2004.

[86]

J. G. Zhang et al., "Microstructure and mechanical properties of spray formed ultrahigh-carbon steels," Materials Science & Engineering : A, vol. 383, no. 1, pp. 45-49, 2004.

[87]

U. Borggren and M. Selleby, "A thermodynamic database for special brass," Journal of phase equilibria (Print), vol. 24, no. 2, pp. 110-121, 2003.

[88]

M. Hillert, M. Schwind and M. Selleby, "Trapping of vacancies by rapid solidification," Acta Materialia, vol. 50, no. 12, pp. 3283-3291, 2002.

[89]

M. Hillert and M. Selleby, "Point defects in B2 compounds," Journal of Alloys and Compounds, vol. 329, no. 02-jan, pp. 208-213, 2001.

[90]

K. Frisk and M. Selleby, "The compound energy formalism : applications," Journal of Alloys and Compounds, vol. 320, no. 2, pp. 177-188, 2001.

Conference papers

[91]

B. Kaplan et al., "Structural Determination of (Cr,Co)₇C₃," in 18th Plansee Seminar, 3 – 7 June, 2013 in Reutte, Austria, 2013, pp. HM104/1-HM104/12.

[92]

J. Odqvist et al., "3D analysis of phase separation in ferritic stainless steels," in Proceedings of the 1st International Conference on 3D Materials Science, 2012, pp. 221-226.

[93]

K. Riyahimalayeri, P. Ölund and M. Selleby, "Slag-Steel Equilibrium Calculations by Computational Thermodynamics: Comparison with the Plant Data," in Proceeding of the International Symposium on Liquid Metal Processing and Casting (LMPC 2011), 2011, pp. 127-134.

[94]

R. Naraghi and M. Selleby, "Stability of Fe-C Martensite–Effect of Zener-Ordering," in Proceedings of the 1st World Congress on Integrated Computational Materials Engineering (ICME), 2011, pp. 235-240.

[95]

K. Riyahimalayeri, P. Ölund and M. Selleby, "Top slag optimization in an ASEA-SKF ladle furnace," in Proceeding of the Richard J. Fruehan Symposium: Physical Chemistry of Sustainable Metals, 2011, pp. 311-320.

[96]

P. A. Korzhavyi et al., "Atomic, electronic, and magnetic structure of iron-based sigma-phases," in Integrative and Interdisciplinary Aspects of Intermetallics, 2005, pp. 517-522.

Chapters in books

[97]

M. Selleby and M. Hillert, "Adiabatic and quasi-adiabatic transformations," in The SGTE Casebook : Thermodynamics At Work, 2nd ed. : Elsevier Ltd, 2008, pp. 263-266.