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Journal Publications

2020

  1. David Linder, Jia-Yi Yan, Martin Walbrühl, John Ågren, Annika Borgenstam, Modeling confined ductile fracture – A void-growth and coalescence approach, International Journal of Solids and Structures, Volume 202, 1 October 2020, Pages 454-462
  2. David Linder, Martin Walbrühl, John Agren, Annika Borgenstam, Indentation behavior of highly confined elasto-plastic materials, International Journal of Solids and Structures, Volumes 193–194, 1 June 2020, Pages 69-78
  3. David Martin, Lena Ryde, Johan Eliasson, Johannes Brask, Bevis Hutchinson, “Medium Manganese Steel and Mechanism of Austenite Formation during Reversion Annealing”, steel research int. 2020, DOI: 10.1002/srin.202000381
  4. D. Karlsson, C-Y. Chou, N. Holländer Pettersson, T. Helander, P. Harlin, M. Sahlberg, G. Lindwall, J. Odqvist, U. Jansson, Additive manufacturing of the ferritic stainless steel SS441, Additive Manufacturing 36 (2020): 101580
  5. Jing Zhang and Pavel A. Korzhavyi, First Principles Investigation on Thermodynamic Properties and Stacking Fault Energy of Paramagnetic Nickel at High Temperatures, Metals 10(3), art. No. 319 (2020). https://www.mdpi.com/2075-4701/10/3/319
  6. Li-Fang Zhu, Fritz Körmann, Andrei V. Ruban, Jörg Neugebauer, and Blazej Grabowski, Performance of the standard exchange-correlation functionals in predicting melting properties fully from ab initio: Application to Al and magnetic Ni, Phys. Rev B 101, 144108 (2020). https://doi.org/10.1103/PhysRevB.101.144108
  7. Q. Ren, A. Forslund, ... A.V. Ruban, D. Stiens, H.-O. Andren, M. Halvarsson, Effects of gas flow on detailed microstructure inhomogeneities in LPCVD TiAlN nanolamella coatings. Materialia 9, 100546 (2020). https://doi.org/10.1016/j.mtla.2019.100546
  8. Axel Forslund, Andrei Ruban, Surface energetics of AlxTi1-xN alloys, Comp. Mater. Sci. 183, 109813 (2020). https://doi.org/10.1016/j.commatsci.2020.109813
  9. Jing Zhang, Pavel A. Korzhavyi, Junjing He, Investigation on elastic and thermodynamic properties of Fe25Cr20NiMnNb austenitic stainless steel at high temperatures from first principles, Comp. Mater. Sci. 185, 109973 (2020). https://doi.org/10.1016/j.commatsci.2020.109973
  10. T. Kostiuchenko, A. V. Ruban, J. Neugebauer, A. Shapeev, and F. Körmann, Short-range order in face-centered cubic VCoNi alloys, Phys. Rev. Materials 4, 113802 (2020). https://link.aps.org/doi/10.1103/PhysRevMaterials.4.113802
  11. Enoki M, Sundman B, Sluiter MHF, Selleby M, Ohtani H. Calphad Modeling of LRO and SRO Using ab initio Data. Metals. 10(8) (2020) 998. https://doi.org/10.3390/met10080998
  12. Sundman B, Kattner U R, Hillert M, Selleby M, Ågren J, Bigdeli S, Chen Q, Dinsdale A, Hallstedt B, Khvan A, Mao HH, Otis R. A method for handling the extrapolation of solid crystalline phases to temperatures far above their melting point. Calphad, 68 (2020) 101737. https://doi.org/10.1016/j.calphad.2020.101737
  13. Nuclear and magnetic small-angle neutron scattering in self-organizing nanostructured FexCr1-x alloys. X Xu, J Odqvist, SM King, D Venero, P Hedström. Materials Characterization, 2020.

2019

  1. M. Walbrühl, D. Linder, M. Bonvalet, J. Ågren, A. Borgenstam, ICME guided property design: Room temperature hardness in cemented carbides Materials and Design 161 (2019) 35–43
  2. M. Bonvalet, J. Odqvist, J. Ågren, A. Borgenstam, Modelling of prismatic grain growth in cemented carbides, International Journal of Refractory Metals & Hard Materials 78 (2019) 310–319
  3. M. Bovalet-Rolland, T. Philippe and J. Ågren. Kinetic theory of nucleation in multicomponent systems: An application of the thermodynamic extremum principle. Acta Mater., 171(2019)1-7
  4. W. Sun, H. Ehteshami, P. R. C. Kent, and P. A. Korzhavyi, Self-diffusion of Ti interstitial based point defects and complexes in TiC, Acta Mater. 165, 381-387 (2019). http://dx.doi.org/10.1016/j.actamat.2018.11.056
  5. P. A. Zguns, A. V. Ruban, N. V. Skorodumova, Influence of composition and oxygen-vacancy ordering on lattice parameter and elastic moduli of Ce1-xGdxO2-x/2: A theoretical study, Scripta Mater. 158, 126-130 (2019). http://dx.doi.org/10.1016/j.scriptamat.2018.08.034
  6. M. V. Petrik, Yu. N. Gornostyrev, P. A. Korzhavyi, Point defect interactions with Guinier-Preston zones in Al-Cu based alloys: Vacancy mediated GPZ to q’-phase transformation, Scripta Mater. 165, 123-127 (2019). http://dx.doi.org/10.1016/j.scriptamat.2019.02.024
  7. O. I. Gorbatov, A. Yu. Stroev, Yu. N. Gornostyrev, P. A. Korzhavyi, Effective cluster interactions and pre–precipitate morphology in binary Al-based alloys, Acta Mater. 179, 70-84 (2019). https://doi.org/10.1016/j.actamat.2019.08.011
  8. K. X. Chen, P. A. Korzhavyi, G. Demange, H. Zapolsky, R. Patte, J. Boisse, Z. D. Wang, Morphological instability of iron-rich precipitates in Cu-Fe-Co alloys, Acta Mater. 163, 55-67 (2019)petr B. Grabowski, F. Kormann, A.V. Ruban, Y. L. Gong, R. C. Reed, T. Hickel, J. Neugebauer, Temperature dependence of the stacking-fault Gibbs energy for Al, Cu, and Ni, Phys. Rev. B 98, 224106 (2019). http://dx.doi.org/10.1103/PhysRevB.98.224106
  9. B. Schonfeld, C. R. Sax, J. Zemp, M. Engelke, P. Boesecke, T. Kresse, T. Boll, T. Al-Kassab, O. E. Peil, A. V. Ruban, Local order in Cr-Fe-Co-Ni: Experiment and electronic structure calculations, Phys. Rev. B 99, 014206 (2019) https://doi.org/10.1103/PhysRevB.99.014206
  10. Haglöf F., Kaplan B., Norgren S., Blomqvist A., Selleby M., Experimental study of carbides in the Ti-Cr-C system, Journal of Materials Science, vol. 54, no. 19, s. 12358-12370, 2019.
  11. F. Haglöf, B. Kaplan, S. Norgren, A. Blomqvist, M. Selleby. Experimental study of carbides in the Ti–Cr–C system. J Mater Sci (2019) 54:12358–12370 (2019).
  12. Bigdeli, S., Zhu, L.-F., Glensk, A., Grabowski, B., Lindahl, B., Hickel, T., Selleby, M. An insight into using DFT data for Calphad modeling of solid phases in the third generation of Calphad databases, a case study for Al. (2019) Calphad, 65, pp. 79-85.
  13. Bigdeli, S., Selleby, M.A thermodynamic assessment of the binary Fe-Mn system for the third generation of Calphad databases(2019) Calphad, 64, pp. 185-195.
  14. Very-small angle neutron scattering study on grain coarsening inhibition by V-doping of WC-Co composites, AB Yildiz, J Weidow, V Ryukhtin, S Norgren, G Wahnström, P Hedström, Scripta Materialia 173, 106-109, (2019).
  15. L Leach, J Ågren, L Höglund, A Borgenstam “Diffusion-Controlled Lengthening Rates of Bainitic Ferrite a Part of the Steel Genome” Metallurgical and Materials Transactions A 50 (6), 2613-261 (2019)
  16. L Leach, P Kolmskog, L Höglund, M Hillert, A Borgenstam “Use of Fe-C Information as Reference for Alloying Effects on BS” Metallurgical and Materials Transactions A 50 (10), 4531-4540 (2019)
  17. Nuclear and magnetic small-angle neutron scattering in self-organizing nanostructured FexCr1-x alloys. X Xu, J Odqvist, SM King, D Venero, P Hedström. Submitted. (2019)
  18. Magnus Boåsen, Mateusz Stec, Pål Efsing, Jonas Faleskog. “A generalized probabilistic model for cleavage fracture with a length scale – Influence of stress state and application to surface cracked experiments.” Engineering Fracture Mechanics 214; 590–608 (2019)
  19. David Linder, Ziyong Houa, Ruiwen Xie, Peter Hedström, Valter Ström,Erik Holmström, Annika Borgenstam. A comparative study of microstructure and magnetic properties of a NiFe cemented carbide: Influence of carbon content. International Journal of Refractory Metals & Hard Materials 80 (2019) 181–187.
  20. Ziyong Hou, David Linder, Peter Hedström, Valter Ström, Erik Holmström, Annika Borgenstam. Evaluating magnetic properties of composites from model alloys –Application to alternative binder cemented carbides. Scripta Materialia 168 (2019) 96–99
  21. Ruiwen Xie, Raquel Lizárraga, David Linder, Ziyong Hou, Valter Ström, Martina Lattemann, Erik Holmström, Wei Li, Levente Vitos. Quantum mechanics basis of quality control in hard metals. Acta Materialia. Vol. 169. (2019) 1-8.

2018

  1. Bevis Hutchinson, Mikael Malmström, Johan Lönnqvist, Pete Bate, Hossein Ehteshami, Pavel A. Korzhavyi, Elasticity and wave velocity in fcc iron (austenite) at elevated temperatures – Experimental verification of ab-initio calculations, Ultrasonics 87, 44-47 (2018). http://dx.doi.org/10.1016/j.ultras.2018.02.009
  2. Hossein Ehteshami and A. V. Ruban, High-temperature thermophysical properties of gamma- and delta-Mn from first principles, Physical Review Materials 2, 034405 (2018). http://dx.doi.org/10.1103/PhysRevMaterials.2.034405
  3. Jia-Yi Yan, A.V. Ruban, Configurational thermodynamics of C in body-centered cubic/tetragonal Fe: A combined computational study, Comput. Mater. Sci. 147, 293-303 (2018). http://dx.doi.org/10.1016/j.commatsci.2018.02.024
  4. A. Yu. Stroev, O. I. Gorbatov, Yu. N. Gornostyrev, and P. A. Korzhavyi, Solid solution decomposition and Guinier-Preston zone formation in Al-Cu alloys: A kinetic theory with anisotropic interactions, Physical Review Materials 2, 033603 (2018). http://dx.doi.org/10.1103/PhysRevMaterials.2.033603
  5. Martin Walbruhl, Andreas Blomqvist, Pavel A. Korzhavyi, Atomic diffusion in liquid nickel: First-principles modeling, J. Chem. Phys. 148, 244503 (2018). http://dx.doi.org/10.1063/1.5026348
  6. M. E. Trybula, P. W. Szafranski, P. A. Korzhavyi, Structure and chemistry of liquid Al-Cu alloys: molecular dynamics study versus thermodynamics-based modelling, J. Mater. Sci. 53, 8285-8301 (2018). http://dx.doi.org/10.1007/s10853-018-2116-8
  7. A. V. Ruban, O. E. Peil, Impact of thermal atomic displacements on the Curie temperature of 3d transition metals, Phys. Rev. B 97, 174426 (2018). http://dx.doi.org/10.1103/PhysRevB.97.174426
  8. A. V. Ponomareva, A. V. Ruban, B. O. Mukhamedov, I. A. Abrikosov, Effect of multicomponent alloying with Ni, Mn and Mo on phase stability of bcc Fe-Cr alloys, Acta Mater. 150, 117-129 (2018). http://dx.doi.org/10.1016/j.actamat.2018.02.007
  9. A. Hosseinzadeh Delandar, O.I. Gorbatov, M. Selleby, Yu.N. Gornostyrev, P.A. Korzhavyi, Ab-initio based search for late blooming phase compositions in iron alloys, J. Nucl. Mater. 509, 225-236 (2018). http://dx.doi.org/10.1016/j.jnucmat.2018.06.028
  10. A. Hosseinzadeh Delandar, O.I. Gorbatov, M. Selleby, Yu.N. Gornostyrev, P.A. Korzhavyi, End-member compounds of a 4-sublattice model of multicomponent BCC solid solutions, Data in Brief 20, 1018-1022 (2018). http://dx.doi.org/10.1016/j.dib.2018.08.086
  11. A. Hosseinzadeh Delandar, R. Sandström and P. Korzhavyi, The Role of Glide during Creep of Copper at Low Temperatures, Metals 8, 772 (2018). http://dx.doi.org/10.3390/met8100772
  12. Li, Z., Mao, H., Selleby, M. Thermodynamic Modeling of Pure Co Accounting Two Magnetic States for the Fcc Phase, J. Phase Equilib. Diffus. 39(5) (2018), pp. 502-509.
  13. Bigdeli, S., Chen, Q., Selleby, M., A New Description of Pure C in Developing the Third Generation of Calphad Databases, Journal of Phase Equilibria and Diffusion, (2018) 832-840
  14. Zhang, R., Zheng, W., Veys, X., Huyberechts, G., Springer, H., Selleby, M., Prediction of Martensite Start Temperature for Lightweight Fe-Mn-Al-C Steels, Journal of Phase Equilibria and Diffusion, 39(5), (2018) pp. 476-489
  15. Zheng, W., Mao, H., Lu, X.-G., He, Y., Li, L., Selleby, M., Ågren, J., Thermodynamic investigation of the Al-Fe-Mn system over the whole composition and wide temperature ranges, Journal of Alloys and Compounds, 742, (2018) pp. 1046-1057
  16. Zheng, W., Lu, X.-G., Mao, H., He, Y, Selleby, M, Li, L., Ågren, J., Thermodynamic modeling of the Al-C-Mn system supported by ab initio calculations, Calphad 60 (2018) pp. 222-230
  17. Effect of heat treatment above the miscibility gap on nanostructure formation due to spinodal decomposition in Fe-52.85 at.% Cr. X Xu, JE Westraadt, J Odqvist, TGA Youngs, SM King, P Hedström. Acta Materialia 145, 347-358, 2018.
  18. Micromechanics and microstructure evolution during in situ uniaxial tensile loading of TRIP-assisted duplex stainless steels. Y Tian, S Lin, JY Peter Ko, U Lienert, A Borgenstam, P Hedström. MSEA, 2018.
  19. T. Barkar, L. Höglund, J. Odqvist and J. Ågren: Effect of concentration dependent gradient energy coefficient on spinodal decomposition in the Fe-Cr system, Comp. Mater. Sci. 143(2018)446-453.
  20. F. Huyan, J. Yan, L. Höglund, J. Ågren, and A. Borgenstam, “Simulation of the Growth of Austenite from As-Quenched Martensite in Medium Mn Steels”, Metallurgical and Materials Transactions A, vol. 49, (2018), 1053–1060.
  21. L. Leach, P. Kolmskog, L. Höglund, M. Hillert, and A. Borgenstam, “Critical Driving Forces for Formation of Bainite”, Metallurgical and Materials Transactions A, (2018), VOLUME 49A, OCTOBER 2018—4509
  22. M. Walbrühl, D. Linder, J. Ågren, A. Borgenstam, ”Alternative Ni-based cemented carbide binder, Hardness characterization by nano-indentation and focused ion beam, International Journal of Refractory Metals and Hard Materials 73 (2018), pp. 204-209.

2017

  1. Yin J, Leach L, Hillert M, Borgenstam A. C-Curves for Lengthening of Widmanstätten and Bainitic Ferrite. Metallurgical and Materials Transactions A. (2017) Sep 1;48(9):3997-4005.
  2. Amer Malik, Joakim Odqvist, Lars Höglund, Staffan Hertzman and John Ågren, “Phase-field modelling of sigma phase precipitation in 25Cr7Ni4Mo duplex stainless steel” Metallurgical and Materials Transactions A, Published online 26 July 2017
  3. J. Yin, M. Hillert and A. Borgenstam, “Second stage of upper bainite in 0.3mass%C steel”, 2017, Metallurgical and Materials Transactions A , 48, pp 1444-1458
  4. David Dilner, Malin Selleby, “Thermodynamic description of the Fe-Ca-O-S system”, Calphad, 57 (2017) 118-125
  5. Yiping Lu, Xiaoxia Gao, Yong Dong, Yonghao Zhao, Huahai Mao, Hai-Lin Chen, Jinchuan Jie, Huijun Kang, Tongmin Wang, Zhiqiang Cao, Tingju Li, Sheng Guo, “Preparing bulk ultrafinegrained high-entropy alloys via spinodal decomposition during direct solidification”, Nature Communications. (under review, 2017).
  6. Erik Holmström, Raquel Lizarraga, David Linder, Armin Salmasi, Wei Wang, Huahai Mao, Henrik Larsson, Levente Vitos, “A Cutting tool for machining steel with High Entropy Alloys as Binder Phase”, Journal of Phase Equilibria and Diffusion. (manuscript invited, 2017)
  7. Huahai Mao, Hai-Lin Chen, Qing Chen, “TCHEA1: a thermodynamic database not limited for “high entropy” alloys”, Journal of Phase Equilibria and Diffusion. (manuscript invited, 2017).
  8. Hai-Lin Chen, Huahai Mao, Qing Chen, “Database development and Calphad calculations for high entropy alloys: challenges, strategies, and tips”, Materials Chemistry and Physics. (manuscript invited, 2017).
  9. Saad Sheikh, Huahai Mao, and Sheng Guo, “Solid Solutioning in CoCrFeNiMx (M=4d Transition Metal) High-Entropy Alloys”, Journal of Applied Physics, 121, 194903 (2017)
  10. Guo-Hua Zhao, Sergey V. Ketov, Huahai Mao, Annika Borgenstam, Dmitri V. Louzguine- Luzgin, “Ti-Fe-Sn-Nb hypoeutectic alloys with superb yield strength and significant strainhardening”, Scripta Materialia, 135 (2017) 59-62.
  11. Guo-Hua Zhao, Huahai Mao, Dmitri V. Louzguine-Luzgin, “Glass forming range of the Ti-Fe-Si amorphous alloys: an effective materials design approach coupling CALPHAD and topological instability criterion”. Journal of Applied Physics. 120, 205106 (2016);
  12. M. Walbrühl, A. Blomqvist, P. A. Korzhavyi, and C. M. Araujo, Surface gradients in cemented carbides from first-principles-based multiscale modeling: Atomic diffusion in liquid Co, Int. J. Refract. Met. H. 66, 174-179 (2017). DOI: 10.1016/j.ijrmhm.2017.03.016
  13. I. N. Karkin, L. E. Karkina, P. A. Korzhavyi, and . N. Gornostyrev, Monte Carlo Simulation of the Kinetics of Decomposition and the Formation of Precipitates at Grain Boundaries of the General Type in Dilute BCC Fe-Cu Alloys, Phys. Solid State+ 59, 106- 113 (2017). DOI: 10.1134/S1063783417010140
  14. M. S. Blanter, V. V. Dmitriev, B. M. Mogutnov, and A. V. Ruban, Interaction of interstitial atoms and configurational contribution to their thermodynamic activity in V, Nb, and Ta, Phys. Met. Metallogr. 118, 105-112 (2017). DOI: 10.1134/S0031918X17020016
  15. X. Xu, J. Odqvist, M. Hörnqvist Colliander, M. Thuvander, A. Steuwer, J.E. Westraadt, S. King and P. Hedström Structural characterization of phase separation in Fe-Cr – A current comparison of experimental methods. Metallurgical and Materials Transactions A 47(2016)5942-5952.
  16. Zhou Li, Sedigheh Bigdeli, Huahai Mao, Qing Chen, Malin Selleby, "Thermodynamic evaluation of pure Co for the third generation of thermodynamic databases”, Phys. Status Solidi B 254, No. 2, 1600231 (2017) / DOI 10.1002/pssb.201600231
  17. Y. Li and P. A. Korzhavyi, “Physical and chemical properties of Cu(I) compounds with O and/or H”, Dalton Trans. 46, 529-538 (2017).DOI: 10.1039/c6dt04376c
  18. O. I. Gorbatov, Yu. N. Gornostyrev, P. A. Korzhavyi, and A. V. Ruban, “Ab initio Modeling of Decomposition in Iron Based Alloys”, Phys. Met. Metallogr. 117, 1293-1327 (2017). DOI: 10.1134/S0031918X16130019
  19. C. M. Lousada, and P. A. Korzhavyi, “Molecular and dissociative adsorption of water at a defective Cu(110) surface”, Surf. Sci. 658, 1–8 (2017). DOI: 10.1016/j.susc.2016.11.012
  20. Y. Tian, O. I. Gorbatov, A. Borgenstam, A. V. Ruban, P. Hedström, “Deformation Microstructure and Deformation-Induced Martensite in Austenitic Fe-Cr-Ni Alloys Depending on Stacking Fault Energy”, Metall and Mat Trans A 48, 1-7 (2017) 48 DOI: 10.1007/s11661-016-3839-2
  21. Jing Zhou, Joakim Odqvist, Andrei Ruban, Mattias Thuvander, Wei Xiong, John Ågren, Gregory B. Olson, Peter Hedström, “Effect of solution treatment on spinodal decomposition during aging of an Fe-46.5 at.% Cr alloy”, J Mater Sci 52, 326-335 (2017). DOI: 10.1007/s10853-016-0333-6
  22.  Jiaqing Yin, Mats Hillert, Annika Borgenstam, “Microstructure of upper bainite”, Metallurgical and Materials Transactions A, Volume 48, p.1444 (2017)
  23. Jiaqing Yin, Mats Hillert, Annika Borgenstam, “Morphology of Proeutectoid Ferrite”, Metallurgical and Materials Transactions A, Volume 48, p.1425 (2017)
  24. Yang Yang, Huahai Mao, Malin Selleby, “An assessment of the Ca-V-O systems”, CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry. 56 (2017) 29-40.

2016

  1. X. Xu, J. Odqvist, M. Hörnqvist Colliander, M. Thuvander, A. Steuwer, J. Westraadt, S. King and P. Hedström, “Structural comparison of phase separation in FeCr - a current comparison of experimental methods”, 2016, 47, pp 5942-5952
  2. T. Ma, R. Borrajo-Pelaez, P. Hedström, I. Borgh, A. Blomqvist, S. Norgren and J. Odqvist, ” Microstructure evolution during phase separation of an Ti-Zr-C alloy” 2016, International Journal of Refractory Metals and Hard Materials, 61, December, Pages 238-248
  3. P.-L. Larsson and E. Olsson, “Elastic-Plastic contact between hard metal particles”, 2016, Key Engineering Materials, 681 (86-99)
  4. E. Olsson and P.-L. Larsson, “A unified model for the contact behaviour between equal and dissimilar elastic-plastic spherical bodies“, 2016, International Journal of Solids and Structures, 81 (23-32)
  5. A. V. Ruban and M. Dehghani, “Atomic configuration and properties of austenitic steels at finite temperature: Effect of longitudinal spin fluctuations”, Phys. Rev. B 94, 104111 (2016). DOI: 10.1103/PhysRevB.94.104111
  6. D. Schriber, R. Pippan, P. Puschnig, A- Ruban, and L. Romaner, “Ab-initio search for cohesion-enhancing solute elements at grain boundaries in molybdenum and tungsten”, Int. Journal of Refractory Metals and Hard Materials 60, 75–81 (2016). DOI: 10.1016/j.ijrmhm.2016.07.003
  7. S. Khmelevskyi, A.V. Ruban, and P. Mohn, “Magnetic ordering and exchange interactions in structural modifications of Mn3Ga alloys: Interplay of frustration, atomic order”, and off-stoichiometry, Phys. Rev. B 93, 184404 (2016). DOI: 10.1103/PhysRevB.93.184404
  8. I. Bleskov, T. Hickel, J. Neugebauer, and A. Ruban, “Impact of local magnetism on stacking fault energies: A first-principles investigation for fcc iron”, Phys. Rev. B 93, 214115 (2016). DOI: 10.1103/PhysRevB.93.214115
  9. A. Breidi, S. G. Fries, M. Palumbo, and A. V. 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). DOI: 10.1016/j.commatsci.2016.01.020
  10. W. Sun, Y. Li, B. Wang, X. Jiang, M. I. Katsnelson, P. Korzhavyi, O. Eriksson, and I. Di Marco, “A new 2D monolayer BiXene, M2C (M = Mo, Tc, Os)”, Nanoscale 8, 15753-15762 (2016). DOI: 10.1039/c6nr03602c
  11. Rui Zhang, Huahai Mao, Petteri Halli, Pekka Taskinen, “Experimental phase stability investigation of compounds and thermodynamic assessment of the BaO–SiO2 binary system”, Journal of Materials Science. (2016) DOI 10.1007/s10853-016-9803-0
  12. Rui Zhang, Huahai Mao, Pekka Taskinen, “Thermodynamic descriptions of the BaO-CaO, BaO-SrO, BaO-SiO2 and SrO-SiO2 systems”, CALPHAD 54 (2016) 107-116
  13. 1. A. V. Ruban, “Thermal vacancies in random alloys in the single-site mean-field approximation”, Phys. Rev. B 93, 134115 (2016). DOI: 10.1103/PhysRevB.93.134115
  14. O. I. Gorbatov, I. L. Lomaev, Y. N. Gornostyrev, A. V. Ruban, D. Furrer, V. Venkatesh, D. L. Novikov, S. F. Burlatsky, “Effect of composition on antiphase boundary energy in Ni3Al based alloys: Ab initio calculations”, Phys. Rev. B 93, 224106 (2016). DOI: 10.1103/PhysRevB.93.224106
  15. O. I. Gorbatov, A. H. Delandar, Y. N. Gornostyrev, A. V. Ruban, P. A. Korzhavyi, “First-principles study of interactions between substitutional solutes in bcc iron”, J. Nucl. Mater. 475, 140-148 (2016). DOI: 10.1016/j.jnucmat.2016.04.013
  16. S. He, P. Peng, O. I. Gorbatov, A. V. Ruban, “Effective interactions and atomic ordering in Ni-rich Ni-Re alloys”, Phys. Rev. B 94, 024111 (2016). DOI: 10.1103/PhysRevB.94.024111
  17. A. H. Delandar, S. M. Hafez Haghighat, P. Korzhavyi, R. Sandström, “Dislocation dynamics modeling of plastic deformation in single-crystal copper at high strain rates”, Int. J. Mater. Res. 107, 988-995 (2016). DOI: 10.3139/146.111433
  18. Annika Borgenstam, David Edmonds and Mats Hillert, “Eutectoids with cementite as major constituent in Fe-C-M alloys”, Acta Materialia 2016, volume. 103, pp. 280-289
  19. Hou, Ziyong; Hedström, Peter; Chen, Qing; Xu, Yunbo; Wu, Di; Odqvist, Joakim; “Quantitative modeling and experimental verification of carbide precipitation in a martensitic Fe–0.16 wt% C–4.0 wt% Cr alloy”, Calphad,53,,39-48, 2016
  20. Huyan, Fei; Hedström, Peter; Höglund, Lars; Borgenstam, Annika; “A Thermodynamic-Based Model to Predict the Fraction of Martensite in Steels “, Metallurgical and Materials Transactions A, 47, 9, 4404-4410,2016
  21. Mats Hillert, Malin Selleby, “Methods for storage of Gibbs energy data”, CALPHAD 53 (2016) 146-150
  22. S. Bigdeli, H. Ehtehsami, Q. Chen, H. Mao, P. Korzhavy, and M. Selleby, New description of metastable hcp phase for unaries Fe and Mn: coupling between first principles calculations and Calphad modelling, Phys. Status Solidi B 253 (2016) 1830-1836.
  23. C. M. Lousada, I. L. Soroka, Yu. Yagodzinskyy, N. V. Tarakina, O. Todoshchenko, H. Hänninen, P. A. Korzhavyi, and M. Jonsson, #Gamma irradiation induces hydrogen absorption by copper in water#, Sci. Rep. 6, 24234 (2016)
  24. O. I. Gorbatov, Yu. N. Gornostyrev, A. V. Ruban, and P. A. Korzhavyi, “First-principles study of interactions between substitutional solutes in bcc iron”, J. Nucl. Mater. 475, 140-148 (2016)
  25. L. Leach, M. Hillert, A. Borgenstam, “Modeling C-curves for the Growth rate of Widmanstätten and Bainitic Ferrite in Fe-C Alloys” , Metallurgical and Materials Transactions A, 2016, Volume 47, Issue 1, pp 19-25
  26. Zhou Li, Huahai Mao, Pavel A. Korzhavyi, Malin Selleby, “Thermodynamic re-assessment of the Co–Cr system supported by first-principles calculations”, CALPHAD, 52 (2016) 1-7.
  27. L. E. Karkina, I. N. Karkin, A. R. Kuznetsov, I. K. Razumov, P. A. Korzhavyi, and Yu. N. Gornostyrev, “Solute–grain boundary interaction and segregation formation in Al: First principles calculations and molecular dynamics modeling” 2016, Computational Materials Science 112, 18-26
  28. C. M. Lousada and P. A. Korzhavyi, Surface chemistry of oxygen on aluminum – Performance of the density functionals: PBE, PBE0, M06 and M06-L, J. Comput. Chem. 2016, 37 , 787–794.
  29. Wangzhong Mu, Huahai Mao, Pär Göran Jönsson and Keiji Nakajima, “Effect of Carbon Content on the Potency of the Intragranular Ferrite Formation”, steel research int., 87 (2016) No. 3
  30. A. M. Tahir, A. Malik, G. Amberg, ” Modeling of the primary rearrangement stage of liquid phase sintering “, Modelling Simul. Mater. Sci. Eng. 24 (2016) 075009 (15pp)

2015

  1. Weiwei Sun, Yunguo Li, Zhu Li, Yanming Ma, Igor Di Marco, Börje Johansson, and Pavel Korzhavyi, “Gluing together metallic and covalent layers to form Ru2C at ambient conditions” 2015, Phys. Chem. Chem. Phys. 17, 9730-9736
  2. O. I. Gorbatov, Yu. N. Gornostyrev, P. A. Korzhavyi, and A. V. Ruban, “Effect of Ni and Mn on the formation of Cu precipitates in -Fe” 2015, Scripta Mater. 102, 11-14
  3. C. M. Lousada and P. A. Korzhavyi, “Oxygen adsorption onto pure and doped Al surfaces - the role of surface dopants” 2015, Phys. Chem. Chem. Phys. 17, 1667-1679
  4. P. A. Korzhavyi and R. Sandström, “First-principles evaluation of the effect of alloying elements on the lattice parameter of a 23Cr25NiWCuCo austenitic stainless steel to model solid solution hardening contribution to the creep strength” 2015, Materials Science and Engineering: A 626, 213-219
  5. D.Q. Zhou, W.X. Zhao, H.H. Mao, Y.X. Hu, X.Q. Xu, X.Y. Sun, Z.P. Lu, “Precipitate characteristics and their effects on the high-temperature creep resistance of alumina-forming austenitic stainless steels”, Materials Science & Engineering A 622 (2015) 91–100.
  6. B. Kaplan, S. Norgren, M. Schwind and M. Selleby, “Thermodynamic calculations and experimental verification in the WC­-Co-­Cr cemented carbide system” 2015, International Journal of Refractory Metals and Hard Materials, 48 (257-262)
  7. B. Kaplan, A. Blomqvist, M. Sellebyand S. Norgren, ”Thermodynamic analysis of the W-­Co-­Cr system supported by ab initio calculations and verified with quaternary data” 2015, Calphad, 50 (59-67)
  8. B. Lindahl, B. Burton and M. Selleby, “Ordering in ternary BCC alloys applied to the Al-­Fe-­Mn system” 2015, Calphad, 51 (211-219)
  9. Y. Yang, H. Mao and M. Selleby, “Thermodynamic assessment of the V-­O system” 2015, Calphad, 51 (144-160)
  10. B. Lindahl, X.L. Liu, Z.K. Liu and M. Selleby, “A thermodynamic re­-assessment of Al­-V toward an assessment of the ternary Al­-Ti-­V system” 2015, Calphad , 51 (75-88)
  11. I. N. Karkin, L. E. Karkina, A. R. Kuznetsov, M. V. Petrik, Yu. N. Gornostyrev, and P. A. Korzhavyi, ” Segregation of Mg to generic tilt grain boundaries in Al: Monte Carlo modeling” 2015 , Materials Physics and Mechanics , 24 (201-210)
  12. G. J. Schmitz, A. Engström, R. Bernhardt, U. Prahl, L. Adam, J. Seyfarth, M. Apel, C. Agelet de Saracibar, P. Korzhavyi, J. Ågren and B. Patzak, « Software solutions for ICME » 2015 , JOM , 68 (70-76)
  13. N. Sandberg, Z. Chang, L. Messina, P. Olsson, and P. A. Korzhavyi, ”Modeling of the magnetic free energy of self-diffusion in bcc Fe” 2015 , Physical Review B 184102 , 92 (1098-0121)
  14.  Y. Li, C. M. Lousada, , I. L. Soroka and P. A. Korzhavyi , “Bond network topology and antiferroelectric order in cuprice CuOH” 2015 , Inorganic Chemistry , 54 (8969-8977)
  15. C.M. Lousada, A.I. Johansson and P.A. Korzhavyi , “Thermodynamics of H2O splitting and H2 formation at the Cu(110)-water interface” 2015 , J. Phys. Chem , 119 (14102-14113)
  16. T. Ma, P. Hedström, V. Ström, A. Masood, I. Borgh, A. Blomqvist, J. Odqvist , “Self-organizing nanostructured lamellar (Ti,Zr)C - A superhard mixed carbide” 2015, International Journal of Refractory Metals and Hard Materials, 51 (25-28)
  17. N. Pettersson, S. Wessman, M. Thuvander, P. Hedström, J. Odqvist, RFA Pettersson, S. Hertzman , “Nanostructure evolution and mechanical property changes during aging of a super duplex stainless steel at 300°C” 2015 , Materials Science and Engineering A , 647 (241-248)
  18. JE Westraadt, EJ Olivier, JH Neethling, P. Hedström, J. Odqvist, X. Xu, A. Steuwer , “A high-resolution analytical scanning transmission electron microscopy study of the early stages of spinodal decomposition in binary Fe-Cr”, 2015, Materials Characterization , 109 (216-221)
  19. S. Bigdeli, H. Mao, M. Selleby, “On the third-generation Calphad databases: An updated description of Mn”, 2015, Physica Status Solidi B, (1-10)
  20. D. Dilner, M. Huahai, M. Selleby, “Thermodynamic assessment of the Mn-S and Fe-Mn-S systems”, 2015, CALPHAD, 48 (95-105)
  21. M. Gouné, F. Danoix, J. Ågren, Y. Bréchet, C.R. Hutchinson, M. Militzer, G. Purdy, S. Van Der Zwaag, H. Zurob, “Overview of the current issues in austenite to ferrite transformation and the role of migrating interfaces therein for low alloyed steels”, 2015, Materials Science and Engineering R, 92 (1-38)*
  22. K. Grönhagen, J. Ågren, M. Odén, ”Phase-field modelling of spinodal decomposition in TiAlN including the effect of metal vacancies”, 2015, Scripta Mater., 95 (42-45)*
  23. M. Hörnqvist, M. Thuvander, A. Steuwer, S. King, J. Odqvist and P. Hedström, ”Early stages of spinodal decomposition in Fe-Cr resolved by in-situ small angle neutron scattering” 2015, App. Phys. Lett., 106 (061911)
  24. T. Ma, P. Hedström, V. Ström, A. Masood, I. Borgh, A. Blomqvist and J. Odqvist, ”Self-organising nanostructures lamellar (Ti,Zr)C – A superhard mixed carbide” 2015, International Journal of Refractory Metals and Hard Materials, 51 (25-28)
  25. J. Zhou, J. Odqvist, J. Ågren, A.V. Ruban, M. Thuvander, W. Xiong, G.B. Olson and P. Hedström, ”Direct atom probe tomography observations of concentration fluctuations in Fe-Cr solid solutions” 2015, Scripta Mater., 98 (13-15)
  26. P Hedström, J Odqvist, “Deformation-Induced Martensitic Transformation in Metastable Austenitic Stainless Steels – Introduction and Current Perspectives” , In Book: Stainless Steel: Microstructure, Mechanical Properties and Methods of Application, Nova Science Publishers, 2015 82-106
  27.  Y. Li, P.A. Korzhavyi, “Interactions of point defects with stacking faults i oxygen-free phosphorous-containing copper”, 2015, J. Nuclear Materials, 462 (160-164)*
  28. W. Sun, H. Ehteshami, P.A. Korzhavyi, “Structure and energy of point defects in TiC: An ab initio study”, 2015, Phys. Rev. B, 91 (134111)
  29. W. Sun, Y. Li, L. Zhu, Y. Ma, D.I. Marco, B. Johansson, P. Korzhavyi, “Gluing together metallic and covalent layers to form Ru2C under ambient conditions”, 2015, Physical Chemistry Chemical Physics, 17 (9730-9736)*
  30. P.A. Korzhavyi, R. Sandström, “First-principles evaluation of the effect of alloying elements on the lattice parameter of a 23Cr25NiWCuCo austenitic stainless steel to model solid solution hardening contribution to the creep strength”, Materials Science and Engineering A, 2015, 626 (213-219)
  31. E. Olsson, P.-L. Larsson, “A numerical study of the mechanical behavior at contact between particles of dissimilar elastic-ideally plastic materials”, 2015, Journal of Physics and Chemistry of Solids, 77 (92-100)

2014

  1. A. Tahir, G. Amberg, P. Hedström, O. Bergman, D. Chasoglou, K. Frisk, “Behaviour of master alloy during sintering of PM steels: redistribution and dimensional variations”, 2014, Powder Metallurgy, 58:2, 133-141, DOI: 10.1179/1743290114Y.0000000117
  2. A. Tahir, G. Amberg, P. Hedström, O. Bergman, K. Frisk, ” Cu redistribution during sintering of Fe-2Cu and Fe-2Cu-0.5C compacts “, Powder Metallurgy, 57, p373-379 (2014)
  3. I. Borgh, P. Hedström, T. Persson, S. Norgren, A. Borgenstam, J. Ågren and J. Odqvist, ”Microstructure, grain size distribution and grain shape in WC-Co alloys sintered at different carbon activities” 2014, International Journal of Refractory Metals and Hard Materials, 43 (205-211)
  4. Z. Hou, P. Hedström, Y. Xu, W. Di and J. Odqvist, ”Microstructure of martensite in Fe-Cr-C and its implications for modelling of carbide precipitation during tempering” 2014, ISIJ, 54 (2649-2656)
  5. J. Zhou, J. Odqvist, L. Höglund, M. Thuvander, T. Barkar and P. Hedström, ”Initial clustering – A key factor for phase separation kinetics in Fe-Cr-based alloys” 2014, Scripta Mater. 75 (62-65)
  6. J. Ågren, “The materials genome and CALPHAD” 2014, Chinese Sci. Bull. 59 (1635-1640)
  7. R. Naraghi, M. Selleby, J. Ågren, “Thermodynamics of stable and metastable structures in Fe-C system”, 2014, CALPHAD, 46 (148-158)
  8. I. Zuazo, B. Hallstedt, B. Lindahl, M. Selleby, M. Soler, A. Etienne, A. Perlade, D. Hasenpouth, V. Massardier-Jourdan, S. Cazottes, and X. Kleber, “Low-Density Steels: Complex Metallurgy for Automotive Applications”, 2014, JOM, 66 (1747-1758)*
  9.  D. Dilner, L. Qi; M. Huahai, X. Wei; S. van der Zwaag, M. Selleby, “Process-time Optimization of Vacuum Degassing Using a Genetic Alloy Design Approach”, MATERIALS, 2014, 7 (7997-8011)*
  10. A.V. Ruban, “Self-trapping of carbon atoms in ’-Fe during the martensitic transformation: A qualitative picture from ab initio calculations”, 2014, Phys. Rev. B, 90 (144106)
  11. C.F.O Dahlberg, J. Faleskog, “Strain gradient plasticity analysis of the influence of grain size and distribution on the yield strength in polycrystals”, 2014, European Journal of Mechanics A, 44(1-16)
  12. A. V. Ruban, V. I. Razumovskiy and F. Körmann, ”Erratum: Spin-wave method for the total energy of paramagnetic state” 2014, Phys. Rev. B, 89
  13. A. V. Ruban, “Single-site mean-field approach to thermal defects in binary ordered alloys”, 2014, Philos. Mag., 94 (1192-1201)*
  14. A. V. Ruban, V. A. Popov, V. K. Portnoi and V. I. Bogdanov, “First-principles study of point defects in Ni3Al”, 2014, Philos. Mag., 94 (20-34)*
  15. C. R. Sax. B. R. Schoenfeld and A. V. Ruban, “Interactions and phase transformations in Fe-Pd”, 2014, Phys. Rev. B, 89*
  16. M. Rahman, B. Johansson and A. V. Ruban, “First-principles study of atomic ordering in fcc Ni-Cr alloys”, 2014, Phys. Rev. B, 89
  17. Y. Li, C. M. Lousada and P. A. Korzhavyi, “The nature of hydrogen in gamma-alumina”, 2014, Journal of Applied Physics, 115*
  18. W. Sun, I. Di Marco and P. Korzhavy, ”A LDA+U and LDA+DMFT study of uranium mononitride: from nonmagnetic to paramagnetic and ferromagnetic”, 2014, Mater. Res. Soc. Symp. Proc., 1683*
  19. V. I. Razumovskiy, A. V. Ruban, J. Odqvist, D. Dilner and P. A. Korzhavyi, “Effect of carbon vacancies on thermodynamic properties of TiC–ZrC mixed carbides”, 2014, CALPHAD, 46 (87-91)
  20. P. A. Korzhavyi and R. Sandström, ”Monovacancy in copper: Trapping efficiency for hydrogen and oxygen impurities”, 2014, Computational Materials Science, 84 (122-128)*
  21. J. Pilhagen and R. Sandström, “ Influence of nickel on the toughness of lean duplex stainless steel welds”, 2014, Materials Science and Engineering A, 602 (49-57)
  22. D. Andersson, P. Lindskog and P.-L. Larsson, “Inverse Modeling Applied for Material Characterization of Powder Materials”, 2014, Journal of Testing and Evaluation, 43
  23. D. Andersson, P. Lindskog, H. Staf and P.-L. Larsson, “A Numerical Study of Material Parameter Sensitivity in the Production of Hard Metal Components Using Powder Compaction”, 2014, Journal of Materials Engineering and Performance, 23 (2199-2208)
  24. E. Olsson and P.-L. Larsson, “On the Tangential Contact Behavior at Elastic-Plastic Spherical Contact Problems”, 2014, Wear ,319 (110-117)
  25. A. Masood, T. Tamaki, V. Ström, A. Borgenstam, J. Ågren and K. V. Rao, ”A New Class of Materials for Magneto-Optical Applications: Transparent Amorphous Thin Films of Fe–B–Nb and Fe–B–Nb–Y Metallic Glassy Alloys”, 2014, IEEE Transactions on Magnetics, 50 (1-5)
  26. D.Q. Zhou, X.Q. Xu, H.H. Mao, Y.F. Yan, T.G. Nieh and Z.P. Lu, “ Plastic flow behaviour in an alumina-forming austenitic stainless steel at elevated temperatures”, 2014, Materials Science and Engineering A, 594 (246-252)*
  27. L. Kaufman and J. Ågren , ”CALPHAD, first and second generation - Birth of the materials genome”, 2014, Scripta Materialia, 70 (3-6)
  28. H.K. Yeddu, T. Lookman, A. Borgenstam, J. Ågren and A. Saxena, ”Martensite formation in stainless steels under transient loading”, 2014, Materials Science and Engineering A, 608 (101-105)
  29. I. Borgh, P. Hedstrom, A. Blomqvist, J. Ågren, and J. Odqvist, ”Synthesis and phase separation of (Ti,Zr)C”, 2014, Acta Materialia, 66 (209-218)
  30. S. Yoshida, K. Ushioda and J. Ågren, “Kinetic Model of the gamma to alpha Phase Transformation at Grain Boundaries in Boron-bearing Low-alloy Steel”, 2014, ISIJ International, 54 (685-692)*
  31. C. Becker, J. Ågren, M. Baricco, Q. Chen, S. Decterov, U. Kattner, J. Perepezko G. Pottlacher and M. Selleby, “Thermodynamic modelling of liquids: CALPHAD approaches and contributions from statistical physics.”, 2014, Physica, 251 (33-52)*
  32. J. Ågren and R. Schmid-Fetzer, “True Phase diagrams”, 2014, Metallurgical and Materials Transactions A, Online 2014
  33. J. Xu, J. Zhao, P. A. Korzhavyi and B. Johansson, “Ab initio calculations of elastic properties of Fe-Cr-W alloys”, 2014, Computational Materials Science, 84 (301-305)

2013

  1. P. Lindskog, D. Andersson and P.-L. Larsson, “An Experimental Device for Material Characterization of Powder Materials”, 2013, Journal of Testing and Evaluation, 41 (504-516)
  2. E. Olsson and P.-L. Larsson, “On the Appropriate Use of Representative Stress Quantities at Correlation of Spherical Contact Problems”, 2013, Tribology Letters, 50 (221-232)
  3. E. Olsson and P.-L. Larsson, “On Force-Displacement Relations at Contact between Elastic-Plastic Adhesive Bodies”, 2013, Journal of the Mechanics and Physics of Solids, 61 (1185-1201)
  4. E. Olsson and P.-L. Larsson, “A Numerical Analysis of Cold Powder Compaction Based on Micromechanical Experiments”, 2013, Powder Technology, 243 (71-78)
  5. A. Malik, G. Amberg, A. Borgenstam and J. Ågren, ”Effect of external loading on the martensitic transformation - A phase field study”, 2013, Acta Materialia, 61 (7868-7880)
  6. A. Stormvinter, P. Hedström and A. Borgenstam, ”A transmission electron microscopy study of plate martensite formation in high-carbon low alloy steels”, 2013, Journal of Materials Science and Technology, 29 (373-379)
  7. H. K. Yeddu, A. Borgenstam and J. Ågren, ”Stress-assisted martensitic transformations in steels - A 3D phase-field study”, 2013, Acta Materialia, 61 (2595-2606)
  8. I. Borgh, P. Hedström, J. Odqvist, A. Borgenstam, J. Ågren, A. Gholinia, B. Winiarski and P.J. Withers, ”On the three-dimensional structure of WC grains in cemented carbides”, 2013, Acta Materialia, 61 (4726-4733)
  9. A. Malik, G. Amberg, A. Borgenstam and J. Ågren, ”Phase field modeling of martensitic transformation- Effect of grain and twin boundaries”, 2013, Modelling and Simulation in Materials Science and Engineering, 21
  10. J.-Y. Yan, W.-Z. Zhang and A. Borgenstam, “Observations of surface relief of proeutectoid Widmanstätten cementite plates in a hypereutectoid carbon steel” 2013, Metallurgical And Materials Transactions, 44A (1443-4149)*
  11. V. Ruban, A. B. Belonoshko and N. V. Skorodumova, “ Impact of magnetism on Fe under Earths core conditions”, 2013, Physical Review B, 87*
  12. V.I. Razumovskiy, A.V. Ruban, P.A. Korzhavyi and J. Odqvist, “Vacancy cluster mechanism of metal atom diffusion in sub-stoichiometric carbides”, 2013, Physical Review B, 87
  13. L.V. Pourovskii, T. Miyake, S.I. Simak, A.V. Ruban, L. Dubrovinsky and I.A. Abrikosov, ”Electronic properties and magnetism of iron at the Earths inner core conditions”, 2013, Physical Review B, 87*
  14. M.S. Blanter, V.V. Dmitriev and A.V. Ruban, ”Interstitial-interstitial interactions in bcc VB group metals: Ab initio calculations”, 2013, Journal of Physics and Chemistry of Solids, 74 (716-722)*
  15. M. Rahaman, V. I. Razumovskiy, B. Johansson and A. V. Ruban, “Temperature dependence of stacking-fault and anti-phase boundary energies in Al3Sc from ab initio calculations”, 2013, Philosophical magazine, 93 (3423-3441)*
  16. O.I. Gorbatov, S.V. Okatov, Yu. N. Gornostyrev, P.A. Korzhavyi and A.V. Ruban, ”Effect of magnetism on the solubility of 3d elements in BCC iron: Results of first-principle investigations”, 2013, Physics of Metals and Metallography, 114 (642-653)*
  17. O.I. Gorbatov, I. K. Razumov, Yu. N. Gornostyrev, P. A. Korzhavyi and A. V. Ruban, “Role of magnetism in Cu precipitation in alpha –Fe”, 2013, Physical Review B, 88
  18. F. Körmann, A. Al Hasan Breidi, S.L. Dudarev, N. Dupin, G. Ghosh, T. Hickel, P. Korzhavyi, J.A. Munoz and I. Ohnuma, “Lambda transitions in materials science: Recent advances in calphad and first-principles modelling”, 2013, Physica Status Solidi B: Basic Solid State Physics, 251 (53-80)*
  19. Wei Li, Song Lu, Qing-Miao Hu, Huahai Mao, Börje Johansson and Levente Vitos, ”The effect of Al on the 475 degrees C embrittlement of Fe-Cr alloys”, 2013, Computational Materials Science, 74 (101-106)*
  20. B. B. Lindahl and M. Selleby, “The Al–Fe–Mn system revisited—An updated thermodynamic description using the most recent binaries”, 2013, Calphad, 43 (86-93)*
  21. M. Palumbo, B. Burton, A. Costa e Silva, B. Fultz, B. Grabowski, G. Grimvall, B. Hallstedt, O. Hellmann, B. Lindahl, A. Schneider, P.E.A. Turchi and W. Xiong, ”Thermodynamic modeling of crystalline unary phases”, 2013, Phys. Status Solidi B 251, No. 1, 14–32 (2014) / DOI 10.1002/pssb.201350133
  22. H. Chen, A. Borgenstam, J. Odqvist, I. Zuazo, M. Goune, J. Ågren and S. Van der Zwaag, ”Application of interrupted cooling experiments for studying mechanism of bainitic ferrite transformations in steels”, 2013, Acta Materialia, 61 (4512-4523)*
  23. A.M. Tahir, G. Amberg and D.Q. Minh, “Initial rapid wetting in metallic systems” 2013, Acta Materialia, 61 (5375-5386)
  24. J. Zhou, J. Odqvist, M. Thuvander and P. Hedström, ”Quantitative evaluation of phase separation in Fe-Cr by atom probe tomography and radial distribution function analysis”, 2013, Microscopy and Microanalysis, 19 (665-675)
  25. P. Hedström, F. Huyan, J. Zhou, S. Wessman, M. Thuvander and J. Odqvist, ”A study of the 475°C embrittlement in Fe-20Cr and Fe-20Cr-X (X=Ni, Cu, Mn) alloys”, 2013, Materials Science and Engineering A, 574 (123-129)
  26. H.K. Yeddu, A. Borgenstam and J. Ågren, ”Stress-assisted martensitic transformations in steels, A 3-D phase-field study”, 2013, Acta Materialia, 61 (2595-2606)
  27. S. Hallström, M. Halvarsson, L. Höglund, T. Jonsson and J. Ågren, ”High temperature oxidation of chromium : Kinetic modeling and microstructural investigation”, 2013, Solid State Ionics, 240 (41-50)*
  28. A. Masood, V. Ström, L. Belova, K.V Rao and J. Ågren., ”Effect of Ni-substitution on glass forming ability, mechanical, and magnetic properties of FeBNbY bulk metallic glasses”, 2013, Journal of Applied Physics, 113

2012

  1. A. Stormvinter, G. Miyamoto, T. Furuhara, P. Hedström and A. Borgenstam, ”Effect of carbon content on variant pairing of martensite in Fe-C alloys”, 2012, Acta Materialia, 60 (20), pp. 7265-7274.
  2. E. Olsson and P.-L. Larsson, “On the Effect of Particle Size Distribution in Cold Powder Compaction”, 2012, Journal of Applied Mechanics, Vol. 79, 051017
  3. A. Malik, H. K. Yeddu, G. Amberg, A. Borgenstam and J. Ågren, ”Three dimensional elasto-plastic phase field simulation of martensitic transformation in polycrystal”, 2012, Materials Science and Engineering A, 556 (221-232)
  4. H. K. Yeddu, V. I. Razumovskiy, A. Borgenstam, P. A. Korzhavyi, A. V. Ruban and J. Ågren, ”Multi-length scale modeling of martensitic transformations in stainless steels”, 2012, Acta Materialia, 60 (6508-6517)
  5. A. Stormvinter, A. Borgenstam and J. Ågren, “Thermodynamically based prediction of the martensite start temperature for commercial steels”, 2012, Metallurgical and Materials Transactions A, 43 (3870-3879)
  6. I. Borgh, S. Norgren, A. Borgenstam and J. Ågren, ”Influence of Nitrogen Gas Pressure on the Miscibility Gap in the Ti-Zr Carbonitride System”, 2012, International Journal of Refractory Metals and Hard Materials, 32 (11-15)
  7. M. Hillert and A. Borgenstam, “Centennial of the Diffusionless Paradigm of Bainite”, 2012, Materials Science and Engineering A, 43 (4487-4495)
  8. M. Thuvander, J. Zhou, J. Odqvist, S. Hertzman and P. Hedström, ”Observations of copper clustering in a 25Cr-7Ni super duplex stainless steel during low-temperature aging under load”, 2012, Philosophical Magazine Letters, 92 (7), pp. 336-343.
  9. P. Kolmskog, A. Borgenstam, M. Hillert, P. Hedström, S.S. Babu, H. Terasaki and Y.-I. Komizo, “Direct observation that bainite can grow below MS“, 2012, Metallurgical and Materials Transactions A, 43 (13), pp. 4984-4988.
  10. J. Zhou, J. Odqvist, M. Thuvander, S. Hertzman and P. Hedström, "Concurrent phase separation and clustering in the ferrite phase during low temperature stress aging of duplex stainless steel weldments”, 2012, (2012) Acta Materialia, 60 (16), pp. 5818-5827.
  11. P. Hedström, S. Baghsheikhi, P. Liu and J. Odqvist, ”A phase-field and electron microscopy study of phase separation in Fe-Cr alloys”, 2012, Materials Science and Engineering A, 534, pp. 552-556.
  12. A.V. Ruban and V.I. Razumovskiy, “Spin-wave method for the total energy of paramagnetic state”, 2012, Physical Review B, 85
  13. A.V. Ruban and V.I. Razumovskiy, ”First-principles based thermodynamic model of phase equilibria in bcc Fe-Cr alloys”, 2012, Physical Review B, 86
  14. A. Borgenstam and M. Hillert, “Kinetics of bainite transformation in steels”, 2012, Phase transformations in steels, Woodhead Publishing Limited, Ed: E. Pereloma and D. Edmonds, 1 (469-501)
  15. H. K. Yeddu, A. Borgenstam, P. Hedström and J. Ågren, ”Effect of martensite embryo potency on the martensitic transformations in steels - A 3D Phase-field study”, 2012, Journal of Alloys and Compounds
  16. W. Xiong, Q. Chen, P. A. Korzhavyi and M. Selleby, “An improved magnetic model for thermodynamic modelling”, 2012, CALPHAD, 39 (11-20)
  17. H. K. Yeddu, A. Malik, J. Ågren, G. Amberg, A. Borgenstam, ”Three dimensional phase-field modelling of martensitic microstructure evolution in steels”, Acta Materialia 60, 1538 (2012)
  18. H. K. Yeddu, A. Borgenstam, P. Hedström and J. Ågren, ”A phase-field study of the physical concepts of martensitic transformations in steel”, Materials science and Engineerng A 538, 173 (2012)

2011

  1. J. Jeppsson, K. Mannesson, A. Borgenstam, J. Ågren, “Inverse Satykov analysis for particle-size distributions and their time evolution”, Acta Materialia, Vol. 59, pp. 874-882 (2011).
  2. P. Kolmskog and A. Borgenstam, “Eutectoid transformations in 4.12 mass% Cr 0.88 mass% C steel, Metall.Mater.Trans. A, Online 19th August 2011.
  3. K. Mannesson, I. Borgh, A.Borgenstam, J.Ågren, “Abnormal grain growth in cemented carbides-Experiments and simulations”, Int.J.Refract.Met.Hard Mater., Vol. 29, pp 488-494 (2011).
  4. W. Xiong, H. Zhang, L. Vitos, M. Selleby, “On the magnetic phase diagram of the Fe-Ni system, Acta Materialia, Vol. 59, pp. 521-530 (2011).
  5. R. Naraghi, P. Hedström, A. Borgenstam, “Spontaneous and deformation induced martensite in austenitic stainless steels with different stability” (Paper of Editors Choice), Steel research international, Vol. 82, No. 4, pp. 337-345 (2011).
  6. A. Borgenstam, P. Hedström, M. Hillert, P. Kolmskog, A. Stormvinter, J. Ågren, “On the Symmetry among the Diffusional Transformation Products of Austenite”,| Metallurgical and Materials Transaction A, Vol. 42A, pp. 1558-1574 (2011).
  7. K. Mannesson, J. Jeppsson, A. Borgenstam, J. Ågren, “Carbide grain growth in cemented carbides”, Acta Materialia, Vol.59, Issue 5, pp 1912-1923 (2011).
  8. Yan Wu, Emad Girgis, Valter Ström, Wolfgang Voit, Lyubov Belova, K.V. Rao, “Ultraviolet light sensitive in-doped ZnO thin film effect transistor printed by inkjet technique”, Physica Status Solidi (a), Vol. 1, pp. 206-209 (2011).
  9. W. Xiong, K. Asp Grönhagen, J. Ågren, M. Selleby, J. Odqvist, Q. Chen, “Investigation of Spinodal Decomposition in Fe-Cr Alloys: CALPHAD Modeling and Phase Field Simulation”, Solid State Phenomena, Vols. 172-174, pp. 1060-1065 (2011).
  10. H. K. Yeddu, J. Ågren, A. Borgenstam, “3D Phase field modeling of microstructure evolution in steels”, Solid State Phenomena, Vols. 172-174, pp.1066-1071 (2011).
  11. W. Xiong, P. Hedström, M. Selleby, J. Odqvist, M. Thuvander, Q. Chen,“An improved thermodynamic modeling of the Fe-Cr system down to zero kelvin coupled with key experiments”, CALPHAD, Vol. 35, pp. 355-366 (2011).
  12. O. Skrinjar, P-L. Larsson, “A Micromechanical Analysis of Local Contact at Die Compaction of Powder Materials”, International Journal of Materials Research, Vol.102, pp. 317-322 (2011).
  13. O. Skrinjar, P-L. Larsson, “On the Micromechanics of Die Compaction of Composite Powder Materials”, International Journal of Materials Research, Vol. 102, pp. 406-412 (2011).
  14. E. Kabliman, P. Blaha, K. Schwarz, A.V. Ruban, B. Johansson, “Ab initio-based mean-field theory of the site occupation in the Fe-Cr sigma-phase”,Phys. Rev. B, Vol. 83, pp.092201 (2011). *
  15. M. Rahaman, A. V. Ruban, A. Mookerjee, B. Johansson, “Magnetic state effect upon the order-disorder phase transition in Fe-Co: a fisrt-principles study”,Phys. Rev. B, Vol. 83, pp. 054202 (2011). *
  16. O.I. Gorbatov, A.R. Kuznetsov, Yu.N. Gornostyrev, A.V. Ruban, N.V. Ershov, V.A. Lukshina, Yu.P. Chernenkov, and V.I. Fedorov, “Role of Magnetism in the Formation of a Short-Range Order in Iron-Silicon Alloys” Journal of Experimental and Theoretical Physics, Vol. 112, pp. 848 (2011). *
  17. B. Alling, A.V. Ruban, A. Karimi, L. Hultman, I. A. Abrikosov, “Unified cluster expansion method applied to the configurational thermodynamics of cubic Ti1-xAlxN”, Physical Review B, Vol. 83, pp. 104203 (2011). *
  18. A. V. Ponomareva, A. V. Ruban, O.Yu. Vekilova, S. I. Simak, I. A. Abrikosov, “Effect of pressure on phase stability in Fe-Cr alloys”, Physical Review B, Vol. 84, pp. 094422 (2011). *
  19. T. Tokunaga, H. Ohtani H, J. Ågren, “Evaluation of Sensitization and Self-Healing in Austenitic Stainless Steels Based on Simulations of Cr-Depleted Zones”, ISIJ International, Vol. 51, pp.965-968 (2011).
  20. M. Selleby, M. Hillert, J Ågren, “Use of chemical potential of a compound in potential phase diagrams”, CALPHAD, Vol. 35 pp. 342-345 (2011).
  21. J. Ågren, “Thermodynamics and Diffusion Coupling in Alloys – Application-Driven Science (Hume-Rothery Memorial Lecture)” Metall. Mater. Trans., published online. (2011).
  22. A. Stormvinter, P. Hedström, A. Borgenstam, “Investigation of lath and plate martensite in a carbon steel”, Solid State Phenomena, Vol. 172-174, pp. 61-66 (2011).
  23. O.I. Gorbatov, P.A. Korzhavyi, A.V. Ruban, B. Johansson, and Yu.N. Gornostyrev, ”Vacancy-solute interactions in ferromagnetic and paramagnetic bcc iron: Ab-initio calculations”, J. Nucl. Mater, 419 (2011) 248-255
  24. V.I. Razumovskiy, A.V. Ruban, and P.A. Korzhavyi, “First-principles study of elastic properties of Cr- and Fe-rich Fe-Cr alloys”, Phys. Rev. B 84, 024106 (2011).
  25. V.I. Razumovskiy, A.V. Ruban, P.A. Korzhavyi, “Effect of temperature on the elastic anisotropy of pure Fe and Fe90Cr10 random alloy” Phys. Rev. Lett. 107 205504 (2011)
  26. O.I. Gorbatov, P.A. Korzhavyi, A.V. Ruban, Yu.N. Gornostyrev, “Dependence of vacancy-solute interactions on magnetic state in dilute iron-based alloys” Solid State Phenomena, Vol. 172-174, 979 (2011)
  27. V.I. Razumovskiy, P.A. Korzhavyi, A.V. Ruban, “Ab-initio calculations of kinetic properties in ZrC and TiC carbides”, Solid State Phenomena, Vol. 172-174, 973 (2011)

2010

  1. M. Hillert, A. Borgenstam, J. Ågren, ”Do bainitic and Widmanstätten ferrite grow with different mechanisms?”, Scripta Materialia, Vol. 62, pp. 75–77 (2010).
  2. C. Moyses Araujo, M. Kapilashrami, J. Xu, O.D. Jayakumar, S. Nagar, Y. Wu, C. Århammar, B. Johansson, L. Belova, R. Ahuja, G.A. Gehring, K.V. Rao, “Room temperature ferromagnetism in pristine MgO thin films”, Applied Physics Letters, Vol. 96, p.232505 (2010).
  3. D. Andersson, P-L. Larsson, A. Cadario, P. Lindskog, “On the influence from punch geometry on the stress distribution at powder compaction”, Powder Technology, Vol.202, p.78-88 (2010).
  4. W. Xiong, M. Selleby, Q. Chen, J. Odqvist, Y. Du, “Phase Equilibria and Thermodynamic Properties in the Fe-Cr System”, Critical Reviews in Solid State and Materials Sciences, Vol.35, Issue 2, pp. 125-152 (2010).
  5. Y. Wu, K. V. Rao, W. Voit, T. Tamaki, O. D. Jayakumar,L. Belova, Y. S. Liu, P. A. Glans, C. L. Chang, J. H. Guo, “Room Temperature Ferromagnetism and Fast Ultraviolet Photoresponse of Inkjet-Printed Mn-Doped ZnO Thin Films”, IEEE transactions on magnetics, Vol. 46, Issue 6, pp. 2152-2155 (2010).
  6. M.S. Blanter, A.V. Ruban, V.V. Dmitriev, “Strain-induced interaction of interstitials in IVA group hcp metals”, Journal of Phys. and Chem. of Solids, Vol. 71, pp. 1416 (2010).
  7. A.V. Ruban, V.I. Baykov, B. Johansson, V.V. Dmitriev, M.S. Blanter, “Oxygen and nitrogen interstitial ordering in hcp Ti, Zr, and Hf: An ab initio study”, Physical Review B, Vol. 82, pp. 134110 (2010). *
  8. M. Ekholm, H. Zapolsky, A.V. Ruban, I. Vernyhora, D. Ledue, and I.A. Abikosov, “Influence of the Magnetic State on the Chemical Order-Disorder Transition Temperature in Fe-Ni permalloy”, Phys. Rev. Lett., Vol. 105, pp.167208 (2010).*
  9. M. Hillert, M. Selleby, “Discussion of cementite layer formation and sooting” Scripta Materialia, Vol. 63(11), pp.1037-1040 (2010). *
  10. R.Okamoto, A.Borgenstam and J.Ågren, “Interfae precipitation in niobium-micro alloyed steels”, Acta Mater., Vol.58, p4783-4790 (2010).
  11. L.O. Werme and P.A. Korzhavyi, “Comment on Hultquist et al. "Water Corrodes Copper'' [Catal. Lett. 132 (2009) 311], Catal. Lett. 135, 165-166 (2010).
  12. C. Moyses Araujo, Mukes Kapilashrami, Xu Jun, O.D.Jayakumar, Sandeep Nagar, Yan Wu, Cecilia Århammar, Börje Johansson, Lyuba Belova, Rajeev Ahuja, Gilian A. Gehring, K.V. Rao, “Room temperature ferromagnetism in pristine MgO thin films.”, Applied Physics Letters 96, 232505 (2010)

2009

  1. Villanueva, W., Boettinger, W.J., Warren, J.A. and Amberg, G., “Effect of phase change and solute diffusion on spreading on a dissolving substrate”, Acta Materialia, 57, pp 6022-6036 (2009).
  2. A.V. Ponamoreva, A.V. Ruban, N. Dubrovinskaia, L. Dubrovinsky, I.A. Abrikosov, “Influence of global magnetic state on chemical interactions in high-pressure high-temperature synthesis of B2 Fe2Si”, Applied Physics Letters, Vol. 94, pp. 181912 (2009).*
  3. I.D. Bleskov, E.A. Smirnova, Yu.Kh. Vekilov, P.A. Korzhavyi, B. Johansson, M. Katsnelson, L. Vitos, I.A. Abrikosov, and E.I. Isaev, “Ab initio calculations of elastic properties of Ru1-xNixAl superalloys”, Appl. Phys. Letters 94, 161901 (2009).
  4. A.Borgenstam, M. Hillert and J. Ågren, “Metallographic evidence of carbon diffusion in the growth of bainite”, Acta Materialia, 57(2009)3242
  5. Wredenberg F, Larsson PL, “Scratch testing of metals and polymers: Experiments”, Wear, 266(2009)76
  6. P.A. Korzhavyi, A.V. Ruban, J. Odqvist, J.-O. Nilsson, B. Johansson, “Electronic structure, effective chemical and magnetic exchange interactions in bcc Fe-Cr alloys“, Physical Review B, 79(2009) 054202
  7. M. Kapilashrami, J. Xu, V. Ström, K.V. Rao, L. Belova, “Transition from ferromagnetism to diamagnetism in undoped ZnO thin films”, Appl. Phys. Letters, Vol.95, p033104 (2009).
  8. M. Kobayashi, Y. Ishida, J.L. Hwang, G.S.Song, M. Takizawa, A. Fujimori, Y. Takeda, T. Ohkochi, T. Okane, 0.Y. Saitoh, H. Yamagami, Amita Gupta, H.T.Cao and K.V.Rao, « Hybridization between the conduction band and 3d orbiitals in the oxide-based diluted magnetic semiconductor In2-x Vx 03 », Physical Review B 79. 205203 (2009)

2008

  1. P-L. Larsson, “Similarity Methods for Analysing Indentation Contact Problems”, Journal of Materials Processing Technology, Vol. 202, p15 (2008).
  2. Q. Chen, J. Jeppsson, J. Ågren, “Analytical treatment of diffusion during precipitate growth in multicomponent system”, Acta Mater. Vol. 56, p1890-1896 (2008).
  3. K. Mannesson, M. Elfwing, A. Kussofsky, S. Norgren, J. Ågren, “Analysis of WC grain growth during sintering using electron backscatter diffraction and image analysis”, International journal of Refractory and hard materials, Vol. 26, p449 - 455 (2008).
  4. V.I. Razumovskiy, E.I. Isaev, A.V. Ruban, P.A. Korzhavyi, “Ab initio calculations of elastic properties of Pt-Sc alloys”, Intermetallics, Vol.16, p982-986 (2008).
  5. O. Grånäs, P.A. Korzhavyi, A.E. Kissavos, I.A. Abrikosov, “Theoretical study of the Mo-Ru sigma phase”, CALPHAD, Vol. 32, p171-176 (2008).
  6. A.V. Ruban, P.A. Korzhavyi, B. Johansson, “First-Principles theory of magnetically driven anomalous ordering in bcc Fe-Cr alloys”, Phys. Rev. B, Vol.77, p094436 (2008).
  7. D.A. Andersson, P.A. Korzhavyi, B. Johansson, “First-principles based on calculation of binary and multicomponent phase diagrams for titanium carbonitride”, CALPHAD, Vol.32 p543-565 (2008). (Best Paper Award, CALPHAD journal 2008)
  8. J. Jeppsson, M. Hillert, J. Ågren, ”Modified mean-field models of normal grain growth”, Acta Materialia, Vol. 56, p5188-5201 (2008).
  9. A.V. Ruban, I.A. Abrikosov, “Configurational thermodynamics of alloys from first-principles: effective cluster interactions”, Reports on Progress in Physics, Vol. 71, pp. 046501 (2008).*
  10. L. Vitos, P.A. P.A. Korzhavyi, J.-O. Nilsson, and B. Johansson, “Stacking fault energy and magnetism in austenitic stainless steels”, Phys. Scr. 77, 065703 (2008).
  11. V.I. Razumovskiy, E.I. Isaev, A.V. Ruban, and P.A. Korzhavyi, “Ab initio calculations of elastic properties of Pt–Sc alloys”, Intermetallics 16, 982 (2008).
  12. V.I. Baykov, P.A. Korzhavyi, and B. Johansson, “Diffusion of Interstitial Mn in the Dilute Magnetic Semiconductor (Ga,Mn)As: The Effect of a Charge State”, Phys. Rev. Lett. 101, 177204 (2008).
  13. Fredriksson P, Larsson PL, “Wedge indentation of thin films modelled by strain gradient plasticity “, Journal of solids and structures, 45(2008) 5556
  14. P.-L. Larsson, “Similarity Methods for Analyzing Indentation Contact Problems - Advantages and disadvantages“, Journal of Materials Processing Technology, 202 (2008) 15
  15. Chen Q., Jeppsson J. and Ågren J., “Analytical treatment of diffusion during precipitate growth in multicomponent system “, Acta Mater. 56 (2008) pp 1890-1896
  16. Mannesson K., Elfwing M., Kussofsky A., Norgren S. And Ågren J., “Analysis of WC grain growth during sintering using electron backscatter diffraction and image analysis “, International journal of Refractory and hard materials 26(2008) pp 449-455
  17. Villanueva W., Grönhagen K., Amberg G. And Ågren J., ” Multicomponent and multiphase modeling and simluation of reactive wetting “, Phys Rev E 77 (2008) 056313
  18. O. Grånäs, P.A. Korzhavyi, A.E. Kissavos, and I.A. Abrikosov, “Theoretical study of the Mo-Ru sigma phase“, CALPHAD, 32 (2008) 171-176
  19. A.V. Ruban, P.A. Korzhavyi, and B. Johansson, “First-Principles theory of magnetically driven anomalous ordering in bcc Fe-Cr alloys “, Phys. Rev. B 77, (2008) 094436
  20. V.I. Razumovskiy, E.I. Isaev, A.V. Ruban, and P.A. Korzhavyi, “Ab initio calculations of elastic properties of Pt-Sc alloys”, Intermetallics 16 (2008) 982-986.
  21. D.A. Andersson, P.A. Korzhavyi, and B. Johansson, “First-principles based on calculation of binary and multicomponent phase diagrams for titanium carbonitride“, CALPHAD 32 (2008) 543-565.
  22. H Larsson and RC Reed, “On the numerical simulation of diffusion controlled reactions under local equilibrium conditions“, Acta Materialia 56 (2008)3754-3760
  23. Jeppsson J., Hillert M. and Ågren J., “Modified mean-field models of normal grain growth“, Acta Materialia, 56 (2008) 5188-5201

2007

  1. O. Skrinjar, B. Storåkers and P.-L. Larsson, ”Local Contact Compliance Relations at Compaction of Composite Powders”, Journal of Applied Mechanics, 74 (2007) 164
  2. O. Skrinjar and P.-L. Larsson, “On the Local Contact Behaviour in Regular Lattices of Composites Powders”, Journal of Materials Processing Technology, 184 (2007) 312