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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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Reference TypeJournal (article/letter/editorial)
TitleFirst principles phase diagram calculations for the octahedral-interstitial system ,
JournalCalphad
AuthorsBurton, Benjamin PaulAuthor
van de Walle, AxelAuthor
Year2012 (June)Volume37
PublisherElsevier BV
DOIdoi:10.1016/j.calphad.2011.12.011Search in ResearchGate
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Mindat Ref. ID14974364Long-form Identifiermindat:1:5:14974364:0
GUID0
Full ReferenceBurton, 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
Plain TextBurton, 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
In(2012) Calphad Vol. 37. Elsevier BV

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Burton, Benjamin Paul, van de Walle, Axel (2012) First principles phase diagram calculations for the octahedral-interstitial system αTiOX, 0≤X≤1/2. Calphad, 39. 97-103 doi:10.1016/j.calphad.2012.09.004
Paul Burton, Benjamin, van de Walle, Axel, T. Stokes, Harold (2012) First Principles Phase Diagram Calculations for the Octahedral-Interstitial System ZrOX, 0 ≤X≤1/2. Journal of the Physical Society of Japan, 81 (1). 14004pp. doi:10.1143/jpsj.81.014004
van de Walle, Axel, Sun, Ruoshi, Hong, Qi-Jun, Kadkhodaei, Sara (2017) Software tools for high-throughput CALPHAD from first-principles data. Calphad, 58. 70-81 doi:10.1016/j.calphad.2017.05.005
Burton, B.P., Sluiter, M.H.F. (2018) First principles phase diagram calculation for the 2D TMD system WS2−WTe2. Calphad, 63. 142-147 doi:10.1016/j.calphad.2018.08.001
Burton, B.P., van de Walle, A. (2006) First-principles phase diagram calculations for the system NaCl–KCl: The role of excess vibrational entropy. Chemical Geology, 225 (3) 222-229 doi:10.1016/j.chemgeo.2005.08.016
Chinnappan, Ravi, Panigrahi, B.K., van de Walle, Axel (2016) First-principles study of phase equilibrium in Ti–V, Ti–Nb, and Ti–Ta alloys. Calphad, 54. 125-133 doi:10.1016/j.calphad.2016.07.001
Colinet, Catherine, Tedenac, Jean-Claude (2012) First-principles calculations of phase stability in the Ti–Zr–Si ternary system. Calphad, 37. 94-99 doi:10.1016/j.calphad.2012.02.003
Miljacic, Ljubomir, Demers, Steven, Hong, Qi-Jun, van de Walle, Axel (2015) Equation of state of solid, liquid and gaseous tantalum from first principles. Calphad, 51. 133-143 doi:10.1016/j.calphad.2015.08.005
Kunselman, Courtney, Bocklund, Brandon, van de Walle, Axel, Otis, Richard, Arróyave, Raymundo (2024) Analytically differentiable metrics for phase stability. Calphad, 86. 102705 doi:10.1016/j.calphad.2024.102705
Burton, B. P., van de Walle, A., Kattner, U. (2006) First principles phase diagram calculations for the wurtzite-structure systems AlN–GaN, GaN–InN, and AlN–InN. Journal of Applied Physics, 100 (11). 113528pp. doi:10.1063/1.2372309
Burton, B. P., Demers, Steve, van de Walle, A. (2011) First principles phase diagram calculations for the wurtzite-structure quasibinary systems SiC-AlN, SiC-GaN and SiC-InN. Journal of Applied Physics, 110 (2). 23507pp. doi:10.1063/1.3602149
 
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