| BROŽ, Pavel, Atta Ullah KHAN, Haiyang Y. NIU, Xing Qiu CHEN, Dianzhong LI, Jan VŘEŠŤÁL, Jiří BURŠÍK a Peter Franz ROGL. The system Ta–V–Si: Thermodynamic modeling. Journal of Solid State Chemistry. San Diego: Elsevier, 2013, roč. 199, Mar, s. 171-180. ISSN 0022-4596. Dostupné z: https://dx.doi.org/10.1016/j.jssc.2012.12.003. |
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@article{1083168,
author = {Brož, Pavel and Khan, Atta Ullah and Niu, Haiyang Y. and Chen, Xing Qiu and Li, Dianzhong and Vřešťál, Jan and Buršík, Jiří and Rogl, Peter Franz},
article_location = {San Diego},
article_number = {Mar},
doi = {http://dx.doi.org/10.1016/j.jssc.2012.12.003},
keywords = {Ternary alloy system; Phase diagram; DFT calculations; Thermodynamic modeling; Calphad},
language = {eng},
issn = {0022-4596},
journal = {Journal of Solid State Chemistry},
title = {The system Ta–V–Si: Thermodynamic modeling},
url = {http://www.sciencedirect.com/science/article/pii/S0022459612007189},
volume = {199},
year = {2013}
}
TY - JOUR
ID - 1083168
AU - Brož, Pavel - Khan, Atta Ullah - Niu, Haiyang Y. - Chen, Xing Qiu - Li, Dianzhong - Vřešťál, Jan - Buršík, Jiří - Rogl, Peter Franz
PY - 2013
TI - The system Ta–V–Si: Thermodynamic modeling
JF - Journal of Solid State Chemistry
VL - 199
IS - Mar
SP - 171-180
EP - 171-180
PB - Elsevier
SN - 00224596
KW - Ternary alloy system
KW - Phase diagram
KW - DFT calculations
KW - Thermodynamic modeling
KW - Calphad
UR - http://www.sciencedirect.com/science/article/pii/S0022459612007189
L2 - http://www.sciencedirect.com/science/article/pii/S0022459612007189
N2 - Thermodynamic modeling of the Ta-V-Si system has been performed. Ground state phase stabilities are reported for all nine binary compounds and for the tau1 ternary intermetallic using an ab initio density functional approach. The calculated energies of formation were included in the thermodynamic modeling based on CALPHAD approach. Thermodynamic remodeling of the sub-systems Ta-V and V-Si and the resulting thermodynamic optimization yielded good agreement with the experimental results in the investigated temperature region 1200 - 1500C.
ER -
BROŽ, Pavel, Atta Ullah KHAN, Haiyang Y. NIU, Xing Qiu CHEN, Dianzhong LI, Jan VŘEŠŤÁL, Jiří BURŠÍK a Peter Franz ROGL. The system Ta–V–Si: Thermodynamic modeling. \textit{Journal of Solid State Chemistry}. San Diego: Elsevier, 2013, roč.~199, Mar, s.~171-180. ISSN~0022-4596. Dostupné z: https://dx.doi.org/10.1016/j.jssc.2012.12.003.
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