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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

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Reference TypeJournal (article/letter/editorial)
TitleEquation of state of solid, liquid and gaseous tantalum from first principles
JournalCalphad
AuthorsMiljacic, LjubomirAuthor
Demers, StevenAuthor
Hong, Qi-JunAuthor
van de Walle, AxelAuthor
Year2015 (December)Volume51
PublisherElsevier BV
DOIdoi:10.1016/j.calphad.2015.08.005Search in ResearchGate
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Mindat Ref. ID14974857Long-form Identifiermindat:1:5:14974857:7
GUID0
Full ReferenceMiljacic, 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
Plain TextMiljacic, 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
In(2015) Calphad Vol. 51. Elsevier BV

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Hong, Qi-Jun, van de Walle, Axel (2016) A user guide for SLUSCHI: Solid and Liquid in Ultra Small Coexistence with Hovering Interfaces. Calphad, 52. 88-97 doi:10.1016/j.calphad.2015.12.003
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Hong, Qi-Jun, van de Walle, Axel, Ushakov, Sergey V., Navrotsky, Alexandra (2022) Integrating computational and experimental thermodynamics of refractory materials at high temperature. Calphad, 79. 102500 doi:10.1016/j.calphad.2022.102500
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
Samanta, Sayan, van de Walle, Axel (2021) Rapid screening of high-throughput ground state predictions. Calphad, 74. 102306 doi:10.1016/j.calphad.2021.102306
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
Hong, Qi-Jun, van de Walle, Axel (2012) Direct first-principles chemical potential calculations of liquids. The Journal of Chemical Physics, 137 (9). 94114pp. doi:10.1063/1.4749287
van de Walle, Axel (2018) Invited paper: Reconciling SGTE and ab initio enthalpies of the elements. Calphad, 60. 1-6 doi:10.1016/j.calphad.2017.10.008
van de Walle, Axel, Nataraj, Chiraag, Liu, Zi-Kui (2018) The Thermodynamic Database Database. Calphad, 61. 173-178 doi:10.1016/j.calphad.2018.04.003
Hong, Qi-Jun, van de Walle, Axel (2013) Solid-liquid coexistence in small systems: A statistical method to calculate melting temperatures. The Journal of Chemical Physics, 139 (9). 94114pp. doi:10.1063/1.4819792
 
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