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Jacob, Aurélie, Schmetterer, Clemens, Singheiser, Lorenz, Gray-Weale, Angus, Hallstedt, Bengt, Watson, Andrew (2015) Modeling of Fe–W phase diagram using first principles and phonons calculations. Calphad, 50. 92-104 doi:10.1016/j.calphad.2015.04.010

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Reference TypeJournal (article/letter/editorial)
TitleModeling of Fe–W phase diagram using first principles and phonons calculations
JournalCalphad
AuthorsJacob, AurélieAuthor
Schmetterer, ClemensAuthor
Singheiser, LorenzAuthor
Gray-Weale, AngusAuthor
Hallstedt, BengtAuthor
Watson, AndrewAuthor
Year2015 (September)Volume50
PublisherElsevier BV
DOIdoi:10.1016/j.calphad.2015.04.010Search in ResearchGate
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Mindat Ref. ID14974630Long-form Identifiermindat:1:5:14974630:6
GUID0
Full ReferenceJacob, Aurélie, Schmetterer, Clemens, Singheiser, Lorenz, Gray-Weale, Angus, Hallstedt, Bengt, Watson, Andrew (2015) Modeling of Fe–W phase diagram using first principles and phonons calculations. Calphad, 50. 92-104 doi:10.1016/j.calphad.2015.04.010
Plain TextJacob, Aurélie, Schmetterer, Clemens, Singheiser, Lorenz, Gray-Weale, Angus, Hallstedt, Bengt, Watson, Andrew (2015) Modeling of Fe–W phase diagram using first principles and phonons calculations. Calphad, 50. 92-104 doi:10.1016/j.calphad.2015.04.010
In(2015) Calphad Vol. 50. Elsevier BV

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Jacob, Aurélie, Schmetterer, Clemens, Markus, Torsten, Singheiser, Lorenz, Gray-Weale, Angus (2015) [P1]Thermodynamic description of Fe-W phase diagram using DFT and phonon calculations. Calphad, 51. 371 doi:10.1016/j.calphad.2015.01.091
Jacob, Aurélie, Schmetterer, Clemens, Khvan, Alexandra, Kondratiev, Alex, Ivanov, Dmitry, Hallstedt, Bengt (2016) Liquidus projection and thermodynamic modeling of the Cr-Fe-Nb ternary system. Calphad, 54. 1-15 doi:10.1016/j.calphad.2016.04.013
Jacob, Aurélie, Schmetterer, Clemens, Grüner, Daniel, Wessel, Egbert, Hallstedt, Bengt, Singheiser, Lorenz (2015) The Cr–Fe–Nb ternary system: Experimental isothermal sections at 700 °C, 1050 °C and 1350 °C. Journal of Alloys and Compounds, 648. 168-177 doi:10.1016/j.jallcom.2015.06.137
Schmetterer, Clemens, Khvan, Alexandra, Jacob, Aurélie, Hallstedt, Bengt, Markus, Torsten (2014) A New Theoretical Study of the Cr-Nb System. Journal of Phase Equilibria and Diffusion, 35 (4) 434-444 doi:10.1007/s11669-014-0313-y
Liu, Shuhong, Hallstedt, Bengt, Music, Denis, Du, Yong (2012) Ab initio calculations and thermodynamic modeling for the Fe–Mn–Nb system. Calphad, 38. 43-58 doi:10.1016/j.calphad.2012.03.004
Houserová, Jana, Vřešťál, Jan, Šob, Mojmír (2005) Phase diagram calculations in the Co–Mo and Fe–Mo systems using first-principles results for the sigma phase. Calphad, 29 (2) 133-139 doi:10.1016/j.calphad.2005.06.002
Noori, Mehdi, Hallstedt, Bengt (2021) Thermodynamic modelling of the Al–Co–Fe system. Calphad, 74. 102288 doi:10.1016/j.calphad.2021.102288
Geng, Feiyang, Boes, Jacob R., Kitchin, John R. (2017) First-principles study of the Cu-Pd phase diagram. Calphad, 56. 224-229 doi:10.1016/j.calphad.2017.01.009
Chen, Ming, Hallstedt, Bengt, Gauckler, Ludwig J. (2005) CALPHAD modeling of the La2O3–Y 2O3 system. Calphad, 29 (2) 103-113 doi:10.1016/j.calphad.2005.06.006
Lintzen, Sarah, von Appen, Jörg, Hallstedt, Bengt, Dronskowski, Richard (2013) The Fe–Mn enthalpy phase diagram from first principles. Journal of Alloys and Compounds, 577. 370-375 doi:10.1016/j.jallcom.2013.06.006
Burton, Benjamin Paul, van de Walle, Axel (2012) First principles phase diagram calculations for the octahedral-interstitial system ,. Calphad, 37. 151-157 doi:10.1016/j.calphad.2011.12.011
 
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