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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