Structural, electronic, elastic and thermodynamic properties of Al1-xZxNi (Z=Cr, V and x= 0, 0.125, 0.25) alloys: First-principle calculations
作者： Shahram Yalameha , Aminollah Vaez
DOI: 10.1016/J.COCOM.2019.E00415
关键词:
摘要: … In this paper, the structural, electronic, elastic and thermodynamic properties of Al 1-x Z x Ni (Z = Cr, V ; x = 0.125, 0.25) alloys have been investigated using the first-principle …
sci-hub.se 参考文章(30)
Feliciano Giustino, Materials modelling using density functional theory :properties and predictions Oxford University Press. ,(2014)
Dragan Toprek, Jelena Belosevic-Cavor, Vasil Koteski, Ab initio studies of the structural, elastic, electronic and thermal properties of NiTi2 intermetallic Journal of Physics and Chemistry of Solids. ,vol. 85, pp. 197- 205 ,(2015) , 10.1016/J.JPCS.2015.05.019
Yong Cao, Peixian Zhu, Jingchuan Zhu, Yong Liu, First-principles study of NiAl alloyed with Co Computational Materials Science. ,vol. 111, pp. 34- 40 ,(2016) , 10.1016/J.COMMATSCI.2015.08.053
Ali Reza Shojaei, Aminollah Vaez, Zahra Nourbakhsh, Zeynab Sadat Madaniyan, First-principles study of optical properties of α-CuSe/klockmannite: Bulk and nano-layers Thin Solid Films. ,vol. 556, pp. 425- 433 ,(2014) , 10.1016/J.TSF.2014.01.028
S.-C. Lui, J. W. Davenport, E. W. Plummer, D. M. Zehner, G. W. Fernando, Electronic structure of NiAl. Physical Review B. ,vol. 42, pp. 1582- 1597 ,(1990) , 10.1103/PHYSREVB.42.1582
N. Ivanović, D. Rodić, V. Koteski, I. Radisavljević, N. Novaković, D. Marjanović, M. Manasijević, S. Koički, Cluster approach to the Ti2Ni structure type. Acta Crystallographica Section B-structural Science. ,vol. 62, pp. 1- 8 ,(2006) , 10.1107/S010876810503764X
Ram Darolia, NiAl alloys for high-temperature structural applications JOM. ,vol. 43, pp. 44- 49 ,(1991) , 10.1007/BF03220163
Jun-Qi He, You Wang, Mu-Fu Yan, Yong Yang, Liang Wang, First-principles study of NiAl microalloyed with Sc, Y, La and Nd Computational Materials Science. ,vol. 50, pp. 545- 549 ,(2010) , 10.1016/J.COMMATSCI.2010.09.017
Yong He Deng, Study of the Mechanical and Thermodynamic Properties on NiAl and Ni3Al Applied Mechanics and Materials. ,vol. 584-586, pp. 1256- 1263 ,(2014) , 10.4028/WWW.SCIENTIFIC.NET/AMM.584-586.1256
Karlheinz Schwarz, Peter Blaha, Solid state calculations using WIEN2k Computational Materials Science. ,vol. 28, pp. 259- 273 ,(2003) , 10.1016/S0927-0256(03)00112-5