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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

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Reference TypeJournal (article/letter/editorial)
Title[P1]Thermodynamic description of Fe-W phase diagram using DFT and phonon calculations
JournalCalphad
AuthorsJacob, AurélieAuthor
Schmetterer, ClemensAuthor
Markus, TorstenAuthor
Singheiser, LorenzAuthor
Gray-Weale, AngusAuthor
Year2015 (December)Volume51
PublisherElsevier BV
DOIdoi:10.1016/j.calphad.2015.01.091Search in ResearchGate
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Mindat Ref. ID14974729Long-form Identifiermindat:1:5:14974729:7
GUID0
Full ReferenceJacob, 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
Plain TextJacob, 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
In(2015) Calphad Vol. 51. Elsevier BV

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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
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
Jacob, Aurélie, Povoden-Karadeniz, Erwin, Kozeschnik, Ernst (2018) Revised thermodynamic description of the Fe-Cr system based on an improved sublattice model of the σ phase. Calphad, 60. 16-28 doi:10.1016/j.calphad.2017.10.002
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, Maoyuan, Jacob, Aurélie, Schmetterer, Clemens, Masset, Patrick J, Hennet, Louis, Fischer, Henry E, Kozaily, Jad, Jahn, Sandro, Gray-Weale, Angus (2016) From atomic structure to excess entropy: a neutron diffraction and density functional theory study of CaO−Al2O3−SiO2melts. Journal of Physics: Condensed Matter, 28 (13). 135102pp. doi:10.1088/0953-8984/28/13/135102
Jacob, Aurélie, Povoden-Karadeniz, Erwin (2020) Predictive computations of intermetallic σ phase evolution in duplex steel. I) Thermodynamic modeling of σ phase in the Fe–Cr–Mn–Mo–Ni system. Calphad, 71. 101998 doi:10.1016/j.calphad.2020.101998
Wu, Bo, Zhou, Zeyou, Peng, Qiong, Dou, Shushi, Fang, Yuan, Wu, Yufeng, Yang, Shangjin, Wei, Zhenyi, Chen, Zuhua (2015) [O9]Thermodynamic properties and phase diagram revisit of Al-Sc binary system from ab initio calculations and calphad assessment. Calphad, 51. 348 doi:10.1016/j.calphad.2015.01.016
dos Santos, Vinícius O., Petrilli, Helena M., Schön, Cláudio G., Eleno, Luiz T.F. (2015) Thermodynamic modelling of the Nb–Ni–Si phase diagram based on the 1073 K isothermal section using ab initio calculations. Calphad, 51. 57-66 doi:10.1016/j.calphad.2015.08.001
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