naa a22 4500 510814565 CHVBK 20180411083459.0 cr unu---uuuuu 180411e20130601xx s 000 0 eng 10.1134/S0031918X13060045 doi (NATIONALLICENCE)springer-10.1134/S0031918X13060045 Theoretical calculation of the mixing enthalpies of 21 IIIB-IVB, IIIB-VB and IVB-VB binary alloy systems [Elektronische Daten] [Bangwei Zhang, Shuzhi Liao, Xiaolin Shu, Haowen Xie, Xiaojian Yuan] The calculation of the formation/mixing enthalpies of binary alloys is an important problem. There have been no systematic theoretical calculations of the mixing enthalpies for group B alloy systems using the famous Miedema theory or from the theoretical methods of first principle. Therefore such calculations for the 21 binary group IIIB-IVB, IIIB-VB and IVB-VB metal alloy systems are performed systematically for the first time using a subregular model. The results show that the agreement between the calculations and experimental data is pretty good and could be accepted from the theoretical or experimental points of view. From the present results and those in other two papers by the authors, it also can be concluded that the subregular model can be used for calculating the mixing enthalpies for all the 36 alloy systems combined with the 9 group B metals of Zn, Cd, Ga, In, Tl, Sn, Pb, Sb and Bi. Pleiades Publishing, Ltd., 2013 group B binary metal alloys nationallicence formation/mixing enthalpies nationallicence systematic theoretical calculations nationallicence subregular model nationallicence Zhang Bangwei International Centre for Materials Physics, Chinese Academy of Sciences, 110015, Shenyang, P. R. China aut Liao Shuzhi Key Laboratory of Quantum Structures and Quantum Control of Ministry of Education, Department of Physics, Hunan Normal University, 410081, Changsha, P. R. China aut Shu Xiaolin Department of Physics, Beijing University of Aeronautics & Astronautics, 100083, Beijing, P. R. China aut Xie Haowen Key Laboratory of Quantum Structures and Quantum Control of Ministry of Education, Department of Physics, Hunan Normal University, 410081, Changsha, P. R. China aut Yuan Xiaojian College of Physics, Hunan University, 410082, Changsha, P. R. China aut The Physics of Metals and Metallography SP MAIK Nauka/Interperiodica 114/6(2013-06-01), 457-468 0031-918X 114:6<457 2013 114 11508 https://doi.org/10.1134/S0031918X13060045 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1134/S0031918X13060045 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Zhang Bangwei International Centre for Materials Physics, Chinese Academy of Sciences, 110015, Shenyang, P. R. China aut NATIONALLICENCE 700 1- Liao Shuzhi Key Laboratory of Quantum Structures and Quantum Control of Ministry of Education, Department of Physics, Hunan Normal University, 410081, Changsha, P. R. China aut NATIONALLICENCE 700 1- Shu Xiaolin Department of Physics, Beijing University of Aeronautics & Astronautics, 100083, Beijing, P. R. China aut NATIONALLICENCE 700 1- Xie Haowen Key Laboratory of Quantum Structures and Quantum Control of Ministry of Education, Department of Physics, Hunan Normal University, 410081, Changsha, P. R. China aut NATIONALLICENCE 700 1- Yuan Xiaojian College of Physics, Hunan University, 410082, Changsha, P. R. China aut NATIONALLICENCE 773 0- The Physics of Metals and Metallography SP MAIK Nauka/Interperiodica 114/6(2013-06-01), 457-468 0031-918X 114:6<457 2013 114 11508 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer