Structure imaging and vanadium substitution in cubic TiCr2 Laves phase
作者： Chanchal Ghosh , Vinit Sharma , Joysurya Basu , Divakar Ramachandran , E. Mohandas
DOI: 10.1080/14786435.2015.1061218
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摘要: Properties of Laves phase compounds can be tailored by alloying and microstructural engineering. V-substituted cubic TiCr2 has been studied to understand the location V atoms in lattice, structural imaging first-principle computations. Even though Ti, Cr appear next each other periodic table, preferentially replaces Ti lattice producing anti-site defects. The defect formation energy for substitution is 0.29 0.40 eV, respectively. replacement generates atomic scale strain. Atomic numbers V, being very close, this not quite suitable incoherent understanding structure chemistry. Instead, difference channelling behaviour electron waves along columns could exploited image individual atom columns. Nature exit wave, amplitude used contrast qualitatively. T...
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sci-hub.se 参考文章(49)
T. Takasugi, M. Yoshida, S. Hanada, Deformability improvement in C15 NbCr2 intermetallics by addition of ternary elements Acta Materialia. ,vol. 44, pp. 669- 674 ,(1996) , 10.1016/1359-6454(95)00174-3
Q YAO, J SUN, Y ZHANG, B JIANG, First-principles studies of ternary site occupancy in the C15 NbCr2 Laves phase Acta Materialia. ,vol. 54, pp. 3585- 3591 ,(2006) , 10.1016/J.ACTAMAT.2006.03.039
Y. Kauffmann, S.H. Oh, C.T. Koch, A. Hashibon, C. Scheu, M. Rühle, W.D. Kaplan, Quantitative analysis of layering and in-plane structural ordering at an alumina–aluminum solid–liquid interface Acta Materialia. ,vol. 59, pp. 4378- 4386 ,(2011) , 10.1016/J.ACTAMAT.2011.03.061
I. Levin, V. Krayzman, C. Chiu, K.-W. Moon, L.A. Bendersky, Local Metal and Deuterium Ordering in the Deuterated ZrTiNi C14 Laves Phase Acta Materialia. ,vol. 60, pp. 645- 656 ,(2012) , 10.1016/J.ACTAMAT.2011.10.021
F Stein, M Palm, G Sauthoff, Structure and stability of Laves phases. Part I. Critical assessment of factors controlling Laves phase stability Intermetallics. ,vol. 12, pp. 713- 720 ,(2004) , 10.1016/J.INTERMET.2004.02.010
Chanchal Ghosh, Joysurya Basu, Shabana Khan, Ramachandran Divakar, E. Mohandas, M. Vijayalakshmi, Synthesis and Structural Characterization of V–4Ti–4Cr Alloy Transactions of The Indian Institute of Metals. ,vol. 66, pp. 381- 385 ,(2013) , 10.1007/S12666-013-0274-6
P.M. Hazzledine, K.S. Kumar, D.B. Miracle, A.G. Jackson, Synchroshear of Laves Phases MRS Proceedings. ,vol. 288, pp. 591- ,(1992) , 10.1557/PROC-288-591
C.T Liu, J.H Zhu, M.P Brady, C.G McKamey, L.M Pike, Physical metallurgy and mechanical properties of transition-metal Laves phase alloys Intermetallics. ,vol. 8, pp. 1119- 1129 ,(2000) , 10.1016/S0966-9795(00)00109-6
John P. Perdew, Kieron Burke, Matthias Ernzerhof, Generalized Gradient Approximation Made Simple Physical Review Letters. ,vol. 77, pp. 3865- 3868 ,(1996) , 10.1103/PHYSREVLETT.77.3865
E.C Dickey, X Fan, S.J Pennycook, Direct atomic-scale imaging of ceramic interfaces Acta Materialia. ,vol. 47, pp. 4061- 4068 ,(1999) , 10.1016/S1359-6454(99)00266-9