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Wang, Y., Curtarolo, S., Jiang, C., Arroyave, R., Wang, T., Ceder, G., Chen, L.-Q., Liu, Z.-K. (2004) Ab initio lattice stability in comparison with CALPHAD lattice stability. Calphad, 28 (1) 79-90 doi:10.1016/j.calphad.2004.05.002

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Reference TypeJournal (article/letter/editorial)
TitleAb initio lattice stability in comparison with CALPHAD lattice stability
JournalCalphad
AuthorsWang, Y.Author
Curtarolo, S.Author
Jiang, C.Author
Arroyave, R.Author
Wang, T.Author
Ceder, G.Author
Chen, L.-Q.Author
Liu, Z.-K.Author
Year2004 (March)Volume28
Issue1
PublisherElsevier BV
DOIdoi:10.1016/j.calphad.2004.05.002Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID14973742Long-form Identifiermindat:1:5:14973742:7
GUID0
Full ReferenceWang, Y., Curtarolo, S., Jiang, C., Arroyave, R., Wang, T., Ceder, G., Chen, L.-Q., Liu, Z.-K. (2004) Ab initio lattice stability in comparison with CALPHAD lattice stability. Calphad, 28 (1) 79-90 doi:10.1016/j.calphad.2004.05.002
Plain TextWang, Y., Curtarolo, S., Jiang, C., Arroyave, R., Wang, T., Ceder, G., Chen, L.-Q., Liu, Z.-K. (2004) Ab initio lattice stability in comparison with CALPHAD lattice stability. Calphad, 28 (1) 79-90 doi:10.1016/j.calphad.2004.05.002
In(2004, March) Calphad Vol. 28 (1) Elsevier BV

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Yang, Songge, Wang, Yi, Liu, Zi-Kui, Zhong, Yu (2021) Ab initio simulations on the pure Cr lattice stability at 0K: Verification with the Fe-Cr and Ni-Cr binary systems. Calphad, 75. 102359 doi:10.1016/j.calphad.2021.102359
van de Walle, Axel, Samanta, Sayan, Nataraj, Chiraag, Zhu, Siya, Chen, Hantong, Liu, Helena, Arroyave, Raymundo (2023) Revisiting the SGTE lattice stability of bcc aluminum. Calphad, 83. 102628 doi:10.1016/j.calphad.2023.102628
Curtarolo, Stefano, Morgan, Dane, Ceder, Gerbrand (2005) Accuracy of ab initio methods in predicting the crystal structures of metals: A review of 80 binary alloys. Calphad, 29 (3) 163-211 doi:10.1016/j.calphad.2005.01.002
Sluiter, M.H.F. (2006) Ab initio lattice stabilities of some elemental complex structures. Calphad, 30 (4) 357-366 doi:10.1016/j.calphad.2006.09.002
Liu, Z.-K. (2007) CALPHAD Annual Awards. Calphad, 31 (1) 1 doi:10.1016/j.calphad.2006.08.001
Zhou, S.H., Wang, Y., Chen, L.-Q., Liu, Z.-K., Napolitano, R.E. (2014) Solution-based thermodynamic modeling of the Ni–Al–Mo system using first-principles calculations. Calphad, 46. 124-133 doi:10.1016/j.calphad.2014.03.002
Zhang, Yanhui, Fang, Yiqi, Feng, Shidong, Ma, Deqiang, Zhou, Yunkai, Wang, Li-Min (2022) Trapping mechanism of metastable β-Ga disclosed by its lattice stability optimization and nucleation behavior exploration. Calphad, 79. 102475 doi:10.1016/j.calphad.2022.102475
Frueh, C.; Aras, C.; Büyükuslu, Ö.; to Baben, M. (2025) aiMP and aiOQ databases in FactSage: Materials informatics relying on ab initio, machine learning and CALPHAD data. Calphad, 90. doi:10.1016/j.calphad.2025.102838
Pollard, Carlee K. (2004) CALPHAD XXXIII 2004 conference proceedings. Calphad, 28 (4) 383-434 doi:10.1016/j.calphad.2005.01.001
Ohtani, Hiroshi, Yamano, Maki, Hasebe, Mitsuhiro (2004) Thermodynamic analysis of the Co–Al–C and Ni–Al–C systems by incorporating ab initio energetic calculations into the CALPHAD approach. Calphad, 28 (2) 177-190 doi:10.1016/j.calphad.2004.08.003
Arroyave, R., Liu, Z.K. (2006) Thermodynamic modelling of the Zn–Zr system. Calphad, 30 (1) 1-13 doi:10.1016/j.calphad.2005.12.006
 
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