Twin-boundary segregation energies and solute-diffusion activation enthalpies in Mg-based binary systems: A first-principles study

作者: Jing Zhang , Yuchen Dou , Yi Zheng

DOI: 10.1016/J.SCRIPTAMAT.2014.02.004

关键词:

摘要: … Second, the calculated value of E Formaton ′ for pure Mg (0.79 eV) agrees well with the … Finally, the calculated values of E Act for Al and Zn (1.30 and 1.13 eV, respectively) agree …

参考文章(28)
Adrien Chapuis, Julian H. Driver, Temperature dependency of slip and twinning in plane strain compressed magnesium single crystals Acta Materialia. ,vol. 59, pp. 1986- 1994 ,(2011) , 10.1016/J.ACTAMAT.2010.11.064
AA Karimpoor, U Erb, KT Aust, G Palumbo, High strength nanocrystalline cobalt with high tensile ductility Scripta Materialia. ,vol. 49, pp. 651- 656 ,(2003) , 10.1016/S1359-6462(03)00397-X
G. Kresse, J. Hafner, Ab initio molecular dynamics for open-shell transition metals. Physical Review B. ,vol. 48, pp. 13115- 13118 ,(1993) , 10.1103/PHYSREVB.48.13115
A. Serra, D.J. Bacon, Computer simulation of screw dislocation interactions with twin boundaries in H.C.P. metals Acta Metallurgica et Materialia. ,vol. 43, pp. 4465- 4481 ,(1995) , 10.1016/0956-7151(95)00128-I
Joseph A. Yasi, Louis G. Hector, Dallas R. Trinkle, First-principles data for solid-solution strengthening of magnesium: From geometry and chemistry to properties Acta Materialia. ,vol. 58, pp. 5704- 5713 ,(2010) , 10.1016/J.ACTAMAT.2010.06.045
WW Jian, GM Cheng, WZ Xu, H Yuan, MH Tsai, QD Wang, CC Koch, YT Zhu, SN Mathaudhu, None, Ultrastrong Mg Alloy via Nano-spaced Stacking Faults Materials research letters. ,vol. 1, pp. 61- 66 ,(2013) , 10.1080/21663831.2013.765927
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
J. Combronde, G. Brebec, Anisotropie d'autodiffusion du magnesium☆ Acta Metallurgica. ,vol. 19, pp. 1393- 1399 ,(1971) , 10.1016/0001-6160(71)90077-0